All Publications


  1. Liliana Gamez, Maxwell W. Terban, Simon J. L. Billinge and Maria Martinez-Inesta, Modelling and validation of particle size distributions of supported nanoparticles using the pair distribution function technique, J. Appl. Crystallogr. 50, (2017). [pdf] [homepage]

  2. Federica Bertolotti, Loredana Protesescu, Maksym V. Kovalenko, Sergii Yakunin, Antonio Cervellino, Simon J. L. Billinge, Maxwell W. Terban, Jan Skov Pedersen, Norberto Masciocchi and Antonietta Guagliardi, Coherent nanotwins and dynamic disorder in cesium lead halide perovskite nanocrystals, ACS Nano 11, 3819-3831 (2017). [pdf] [homepage]

  3. Lijun Li, A. M. Milinda Abeykoon, E. Dooryhee, A. Tomic, Yanan Huang, J. B. Warren, E. S. Bozin, S. J. L. Billinge, G. Kotliar and C. Petrovic, Superconducting order from disorder in 2H-TaSe2-xSx, npj Quantum Mater. 2, 11 (2017). [pdf] [homepage]

  4. Z. Guguchia, R. Khasanov, A. Shengelaya, E. Pomjakushina, S. J. L. Billinge, A. Amato E. Morenzoni and and H. Keller, Cooperative coupling of static magnetism and bulk superconductivity in the stripe phase of La2-xBaxCuO4: Pressure- and doping-dependent studies, Phys. Rev. B 94, 214511 (2016). [pdf] [homepage]

  5. Aifeng Wang, I. Zaliznyak, Weijun Ren, Lijun Wu, D. Graf, V. O. Garlea, J. B. Warren, E. Bozin, Yimei Zhu and C. Petrovic, Magnetotransport study of Dirac fermions in YbMnBi2 antiferromagnet, Phys. Rev. B 94, 165161 (2016). [pdf] [homepage]

  6. Paolo Scardi, Simon J. L. Billinge, Reinhard Neder and Antonio Cervellino, Celebrating 100 years of the Debye scattering equation, Acta Crystallogr. A 72, 589-590 (2016). [pdf] [homepage]

  7. Simon J. L. Billinge, Physics inside: solving protein structures without crystals, Condensed Matter Physics Journal Club , (2016). [pdf] [homepage]

  8. Jianwei Miao, Peter Ercius and Simon J. L. Billinge, Atomic electron tomography: 3D structures without crystals, Science 353, aaf2157 (2016). [homepage]

  9. Alexander N. Beecher, Octavi E. Semonin, Jonathan M. Skelton, Jarvist M. Frost, Maxwell W. Terban, Haowei Zhai, Ahmet Alatas, Jonathan S. Owen, Aron Walsh and Simon J. L. Billinge, Direct observation of dynamic symmetry breaking above room temperature in methylammonium lead iodide perovskite, ACS Energy Lett. 1, 880–887 (2016). [pdf] [homepage]

  10. Aifeng Wang, D. Graf, Lijun Wu, Kefeng Wang, E. Bozin, Yimei Zhu and C. Petrovic, Interlayer electronic transport in CaMnBi2, Phys. Rev. B 94, 125118 (2016). [pdf] [homepage]

  11. Maxwell W. Terban, Raphaël Dabbous, Anthony D. Debellis, Elmar Pöselt and Simon J. L. Billinge, Structures of hard phases in thermoplastic polyurethanes, Macromolecules 49, 7350-7358 (2016). [pdf] [homepage]

  12. H. Ryu, M. Abeykoon, E. Bozin, Y. Matsumoto, S. Nakatsuji and C. Petrovic, Multiband electronic transport in \alpha-Yb1−xSrxAlB4 (x = 0 0.19) single crystals, J. Phys: Condens. Mat. 28, 425602 (2016). [pdf] [homepage]

  13. Benjamin A. Frandsen, Zizhou Gong, Maxwell W. Terban, Soham Banerjee, Bijuan Chen, Changqing Jin, Mikhail Feygenson, Yasutomo J. Uemura and Simon J. L. Billinge, Local atomic and magnetic structure of dilute magnetic semiconductor (BaK)(ZnMn)2As2, Phys. Rev. B 94, 094102 selected as Editors' Suggestion (2016). [pdf] [homepage]

  14. Ann-Christin Dippel, Kirsten M. \O. Jensen, Christoffer Tyrsted, Martin Bremholm, Espen D. Bøjesen, Dipankar Saha, Steinar Birgisson, Mogens Christensen, Simon J. L. Billinge and Bo B. Iversen, Towards atomistic understanding of polymorphism in solvothermal synthesis of ZrO2 nanoparticles, Acta Crystallogr. A 72, 645-650 (2016). [pdf] [homepage]

  15. P. M. Duxbury, L. Granlund, S. R. Gujarathi, P. Juhás and Simon J. L. Billinge, The unassigned distance geometry problem, Discrete Applied Mathematics 204, 117-132 (2016). [pdf] [homepage]

  16. Kirsten M. \O. Jensen, Pavol Juhás, Marcus A. Tofanelli, Christine L. Heinecke, Gavin Vaughan, Christopher J. Ackerson and Simon J. L. Billinge, Polymorphism in magic sized Au144(SR)60 clusters, Nat. Commun. 7, 11859 (2016). [pdf] [homepage]

  17. Simon J. L. Billinge, Philip M. Duxbury, Douglas S. Gonçalves, Carlile Lavor and Antonio Mucherino, Assigned and unassigned Distance Geometry: applications to Biological Molecules and Nanostructures, 4OR-Q J Oper Res 14, 337-376 (2016). [pdf] [homepage]

  18. Javier Arinez-Soriano, Jorge Albalad, Arnau Carne-Sanchez, Celia S. Bonnet, Felix Busque, Julia Lorenzo, Jordi Juanhuix, Maxwell W. Terban, Inhar Imaz, Eva Toth and Daniel Maspoch, pH-responsive relaxometric behaviour of coordination polymer nanoparticles made of a gadolinium macrocyclic chelate, Chem.-Eur. J. 22, 13162–-13170 (2016). [pdf] [homepage]

  19. E. S. Bozin and S. J. L. Billinge, Novel trends in pair distribution function approaches on bulk systems with nanoscale heterogeneities, Neutron News 27, 27-31 (2016). [pdf] [homepage]

  20. J. Choi and S. J. L. Billinge, Perovskites at the nanoscale: from fundamentals to applications, Nanoscale 8, 6206-6208 (2016). [pdf] [homepage]

  21. Zhijun Xu, J. A. Schneeloch, Jinsheng Wen, Emil S. Bozin, G. E. Granroth, B. L. Winn, M. Feygenson, R. J. Birgeneau, Genda Gu, I. A. Zaliznyak, J. M. Tranquada and Guangyong Xu, Thermal evolution of antiferromagnetic correlations and tetrahedral bond angles in superconducting FeTe1−xSex, Phys. Rev. B 93, 104517 (2016). [pdf] [homepage]

  22. Benjamin A. Frandsen, Michela Brunelli, Katherine Page, Yasutomo J. Uemura, Julie B. Staunton and Simon J. L. Billinge, Verification of Anderson Superexchange in MnO via Magnetic Pair Distribution Function Analysis and \textitab initio Theory, Phys. Rev. Lett. 116, 197204 (2016). [pdf] [homepage]

  23. Frandsen Benjamin A. and Billinge Simon J. L., Investigating short-range magnetic correlations in real space with the magnetic pair distribution function (mPDF), Neutron News 27, 14-16 (2016). [pdf] [homepage]

  24. Benjamin A. Frandsen, Lian Liu, Sky C. Cheung, Zurab Guguchia, Rustem Khasanov, Elvezio Morenzoni, Timothy J. S. Munsie, Alannah M. Hallas, Murray N. Wilson, Yipeng Cai, Graeme M. Luke, Bijuan Chen, Wenmin Li, Changqing Jin, Cui Ding, Shengli Guo, Fanlong Ning, Takashi Ito, Wataru Higemoto, Simon J. L. Billinge, Shoya Sakamoto, Atsushi Fujimori, Taito Murakami, Hiroshi Kageyama, Jose Antonio Alonso, Gabriel Kotliar, Masatoshi Imada and Yasuotomo J. Uemura, Volume-wise destruction of the antiferromagnetic Mott insulating state through quantum tuning, Nat. Commun. 7, 12519 (2016). [pdf] [homepage]

  25. Babak Anasori, Chenyang Shi, Eun Ju Moon, Yu Xie, Cooper A. Voigt, Paul R. C. Kent, Steven J. May, Simon J. L. Billinge, Michel W. Barsoum and Yury Gogotsi, Control of electronic properties of 2D carbides (MXenes) by manipulating their transition metal layers, Nanoscale Horiz. 1, 227-234 (2016). [pdf] [homepage]

  26. E. S. Bozin, A. Huq, Bing Shen, H. Clauss, W. K. Kwok and J. M. Tranquada, Charge-screening role of c-axis atomic displacements in YBa2Cu3O6+x and related superconductors, Phys. Rev. B 93, 054523 (2016). [pdf] [homepage]

  27. Mouath Shatnawi, Emil S. Bozin, J. F. Mitchell and Simon J. L. Billinge, Non percolative nature of the metal-insulator transition and persistence of local Jahn-Teller distortions in the rhombohedral regime of La1-xCaxMnO3, Phys. Rev. B 93, 165138 (2016). [pdf] [homepage]

  28. Dragica Prill, Pavol Juhás, S. J. L. Billinge and Martin U. Schmidt, Towards solution and refinement of organic crystal structures by fitting to the atomic pair distribution function, Acta Crystallogr. A 72, 62-72 (2016). [pdf] [homepage]

  29. Jessica M. Hudspeth, Tapan Chatterji, Simon J. L. Billinge and Simon A. J. Kimber, Unifying local and average structure in the phase change material GeTe, arXiv , 1506.08944 [cond-mat.mtrl-sci] (2015). [homepage]

  30. Benjamin A. Frandsen, Sky C. Cheung, Tatsuo Goko, Lian Liu, Teresa Medina, Timothy S. J. Munsie, Graeme M. Luke, Peter J. Baker, Marco P. Jimenez, Gaku Eguchi, Shingo Yonezawa, Yoshiteru Maeno and Yasutomo J. Uemura, Superconducting properties of noncentrosymmetric superconductor \mathbfCaIrSi_3 investigated by muon spin relaxation and rotation, Phys. Rev. B 91, 014511 (2015). [homepage]

  31. Maxwell W. Terban, Eugene Y. Cheung, Paul Krolikowski and Simon J. L. Billinge, Recrystallization phase composition and local structure of amorphous lactose from the total scattering pair distribution function, Cryst. Growth Des. 16, 210–220 (2015). [pdf] [homepage]

  32. Hyejin Ryu, Kefeng Wang, M. Opacic, N. Lazarevic, J. B. Warren, Z. V. Popovic, E. S. Bozin and C. Petrovic, Sustained phase separation and spin glass in Co-doped KxFe2−ySe2 single crystals, Phys. Rev. B 92, 174522 (2015). [pdf] [homepage]

  33. Hyejin Ryu, Milinda Abeykoon, Kefeng Wang, Hechang Lei, N. Lazarevic, J. B. Warren, E. S. Bozin, Z. V. Popovic and C. Petrovic, Insulating and metallic spin glass in Ni-doped KxFe2−ySe2 single crystals, Phys. Rev. B 91, 184503 (2015). [pdf] [homepage]

  34. Kirsten M. \O. Jensen, Anders B. Blichfeld, Sage R. Bauers, Suzannah R. Wood, Eric Dooryhée, David C. Johnson, Bo B. Iversen and Simon J. L. Billinge, Demonstration of thin film pair distribution function analysis (tfPDF) for the study of local structure in amorphous and crystalline thin films, IUCrJ. 2, 481-489 (2015). [pdf] [homepage]

  35. Sage R. Bauers, Suzannah R. Wood, Kirsten M. \O. Jensen, Anders B. Blichfeld, Bo B. Iversen, Simon J. L. Billinge and David C. Johnson , Structural evolution of iron antimonides from amorphous precursors to crystalline products studied by total scattering techniques, J. Am. Chem. Soc. 137, 9652-9658 (2015). [pdf] [homepage]

  36. Pavol Juhás, Christopher L. Farrow, Xiaohao Yang, Kevin R. Knox and Simon J. L. Billinge, Complex Modeling: a strategy and software program for combining multiple information sources to solve ill-posed structure and nanostructure inverse problems, Acta Crystallogr. A 71, 562-568 (2015). [pdf] [homepage]

  37. Kirsten M. \O. Jensen, Xiaohao Yang, Josefa Vidal Laved, Wolfgang G. Zeir, Kimberly A. See, Marco DiMichiel, Brent C. Melot, Serena A. Corr and Simon J. L. Billinge, X-ray diffraction computed tomography for structural analysis of electrode materials in batteries, J. Electrochem. Soc. 162, A1310-A1314 (2015). [pdf] [homepage]

  38. Simon J. L. Billinge, Atomic pair distribution function: a revolution in the characterization of nanostructured pharmaceuticals, Nanomedicine 10, 2473-2475 (2015). [pdf] [homepage]

  39. L. Granlund, S. J. L. Billinge and P. M. Duxbury, Algorithm for systematic peak extraction from atomic pair distribution functions, Acta Crystallogr. A 71, 392-409 (2015). [pdf] [homepage]

  40. Amanda L. Tiano, Georgia C. Papaefthymiou, Crystal S. Lewis, Jinkyu Han, Cheng Zhang, Qiang Li, Chenyang Shi, A. M. Milinda Abeykoon, Simon J. L. Billinge, Eric Stach, Justin Thomas, Kevin Guerrero, Pablo Munayco, Jimmy Munayco, Rosa B. Scorzelli, Philip Burnham, Arthur J. Viescas and Stanislaus S. Wong, Correlating size and composition-dependent effects with magnetic Mössbauer and pair distribution function measurements in a family of catalytically active ferrite nanoparticles, Chem. Mater. 27, 3572-3592 (2015). [pdf] [homepage]

  41. Kefeng Wang, Aifeng Wang, A. Tomic, Limin Wang, A. M. Milinda Abeykoon, E. Dooryhee, S. J. L. Billinge and C. Petrovic, Enhanced thermoelectric power and electronic correlations in RuSe2, APL Mat. 3, 041513 (2015). [pdf] [homepage]

  42. Xiaohao Yang, Pavol Juhás, Christopher Farrow and Simon J. L. Billinge, xPDFsuite: an end-to-end software solution for high throughput pair distribution function transformation visualization and analysis, arXiv , 1402.3163 (2015). [pdf] [homepage]

  43. E. S. Bozin, R. Zhong, K. R. Knox, G. Gu, J. P. Hill, J. M. Tranquada and S. J. L. Billinge, Reconciliation of local and long-range tilt correlations in underdoped La2-xBaxCuO4 (0 <= x <= 0.155), Phys. Rev. B 91, 054521 (2015). [pdf] [homepage]

  44. Dragica Prill, Pavol Juhás, Martin U. Schmidt and Simon J. L. Billinge, Modeling pair distribution functions (PDF) of organic compounds: describing both intra- and intermolecular correlation functions in calculated PDFs, J. Appl. Crystallogr. 48, 171-178 (2015). [pdf] [homepage]

  45. Maxwell W. Terban, Matthew Johnson, Marco DiMichiel and Simon J. L. Billinge, Detection and characterization of nanoparticles in suspension at low concentrations using the x-ray total scattering pair distribution function technique, Nanoscale 7, 5480-5487 (2015). [pdf] [homepage]

  46. Dylan C. Gary, Maxwell Terban, Simon J. L. Billinge and Brandi M. Cossairt, Two-step nucleation and growth of InP quantum dots via magic-sized cluster intermediates, Chem. Mater. 27, 1432-1441 (2015). [pdf] [homepage]

  47. Simon J. L. Billinge and Jianwei Miao, Celebrating the past looking to the future, Acta Crystallogr. A 71, 1-2 (2015). [pdf] [homepage]

  48. S. Lendinez, R. Zarzuela, J. Tejada, M. W. Terban, S. J. L. Billinge, J. Espin, I. Imaz, D. Maspoch and E. M. Chudnovsky, Resonant spin tunneling in randomly oriented nanospheres of Mn 12 acetate, Phys. Rev. B 91, 024404 (2015). [pdf] [homepage]

  49. Tatiana E. Gorelik, Martin U. Schmidt, Ute Kolb and Simon J. L. Billinge, Total-Scattering Pair-Distribution-Function of Organic Material from Powder Electron Diffraction Data, Microsc. Microanal. 21, 459 - 471 (2015). [pdf] [homepage]

  50. Frandsen Benjamin A. and Billinge Simon J. L. , Magnetic structure determination from the magnetic pair distribution function (mPDF): ground state of MnO, Acta Crystallogr. A 71, 325-334 (2015). [pdf] [homepage]

  51. Milinda Abeykoon, Hefei Hu, Lijun Wu, Yimei Zhu and Simon J. L. Billinge , Calibration and data collection protocols for reliable lattice parameter values in electron pair distribution function studies, J. Appl. Crystallogr. 48, 244-251 (2015). [pdf] [homepage]

  52. Benjamin A. Frandsen, Emil S. Bozin, Hefei Hu, Yimei Zhu, Yasumasa Nozaki, Hiroshi Kageyama, Yasutomo J. Uemura, Wei-Guo Yin and Simon J. L. Billinge, Intra-unit-cell nematic charge order in the titanium-oxypnictide family of superconductors, Nat. Commun. 5, 5761 (2014). [pdf] [homepage]

  53. Hefei Hu, Yimei Zhu, Xiaoya Shi, Qiang Li, Ruidan Zhong, John A. Schneeloch, Genda Gu, John M. Tranquada and Simon J. L. Billinge, Nanoscale coherent intergrowth-like defects in a crystal of La1.9Ca1.1Cu2O6+\delta made superconducting by high-pressure oxygen annealing, Phys. Rev. B 90, 134518 (2014). [pdf] [homepage]

  54. Shuangyi Liu, Andrew R. Akbashev, Xiaohao Yang, Xiaohua Liu, Wanlu Li, Lukas Zhao, Xue Li Alexander Couzis, Myung-Geun Han, Yimei Zhu, Lia Krusin-Elbaum, Jackie Li, Limin Huang, Simon J. L. Billinge, Jonathan E. Spanier and Stephen O'Brien, Hollandites as a new class of multiferroics, Sci. Rep. 4, 6203 (2014). [pdf] [homepage]

  55. H. Chi, H. Kim, J. C. Thomas, G. Shi, K. Sun, M. Abeykoon, E. S. Bozin, X. Shi, Q. Li, X. Shi, E. Kioupakis, A. Van der Ven, M. Kaviany and C. Uher, Low-temperature structural and transport anomalies in Cu2Se, Phys. Rev. B 89, 195209 (2014). [pdf] [homepage]

  56. N. Lazarevic, E. S. Bozin, M. Scepanovic, M. Opacic, Hechang Lei, C. Petrovic and Z. V. Popovic, Probing IrTe2 crystal symmetry by polarized Raman scattering, Phys. Rev. B 89, 224301 (2014). [pdf] [homepage]

  57. Xiaohao Yang, P. Juhás and S. J. L. Billinge, On the estimation of statistical uncertainties on powder diffraction and small-angle scattering data from two-dimensional X-ray detectors, J. Appl. Crystallogr. 47, 1273-1283 (2014). [pdf] [homepage]

  58. Vicky V. T. Doan-Nguyen, Simon A. J. Kimber, Diego Pontoni, Danielle Reifsnyder Hickey, Benjamin T. Diroll, Xiaohao Yang, Marcel Miglierini, Christopher B. Murray and Simon J. L. Billinge, Bulk metallic glass-like scattering signal in small metallic nanoparticles, ACS Nano 8, 6163–6170 (2014). [pdf] [homepage]

  59. Kirsten M. \O. Jensen, Henrik L. Andersen, Christoffer Tyrsted, Espen D. Bojesen, Ann-Christin Dippel, Nina Lock, Simon J. L. Billinge, Bo B. Iversen and Mogens Christensen, Mechanisms for iron oxide formation under hydrothermal conditions: an in situ total scattering study, ACS Nano 8, 10704–10714 (2014). [pdf] [homepage]

  60. Alexander N. Beecher, Xiaohao Yang, Joshua H. Palmer, Alexandra L. LaGrassa, Pavol Juhás, Simon J. L. Billinge and Jonathan S. Owen, Atomic structures and gram scale synthesis of three tetrahedral quantum dots, J. Am. Chem. Soc. 136, 10645-10653 (2014). [pdf] [homepage]

  61. Michael Ghidiu, Michael Naguib, Chenyang Shi, Olha Mashtalir, Limei Pan, Bo Zhang, Jian Yang, Yury Gogotsi, Simon J. L. Billinge and Michel W. Barsoum, Synthesis and charaterization of two-dimensional Nb4C3 (MXene), Chem. Commun. 50, 9517-9520 (2014). [pdf] [homepage]

  62. K. Fujita, Chung Koo Kim, Inhee Lee, Jinho Lee, M. H. Hamidian, I. A. Firmo, S. Mukhopadhyay, H. Eisaki, S. Uchida, M. J. Lawler, E.-A. Kim and J. C. Seamus Davis, Simultaneous transitions in cuprate momentum-space topology and electronic symmetry breaking, Science 344, 612-616 (2014). [pdf] [homepage]

  63. Chenyang Shi, Majid Beidaghi, Michael Naguib, Olha Mashtalir, Yury Gogotsi and Simon J. L. Billinge , Structure of nanocrystalline Ti3C2 MXene using atomic pair distribution function, Phys. Rev. Lett. 112, 125501 (2014). [pdf] [homepage]

  64. Benjamin A. Frandsen, Xiaohao Yang and Simon J. L. Billinge , Magnetic pair distribution function analysis of local magnetic correlations, Acta Crystallogr. A 70, 3-11 (2014). [pdf] [homepage]

  65. Christoper L. Farrow, Chenyang Shi, Pavol Juhás, Xiaogang Peng and Simon J. L. Billinge , Robust structure and morphology parameters for CdS nanoparticles by combining small angle X-ray scattering and atomic pair distribution function data in a complex modeling framework, J. Appl. Crystallogr. 47, 561-565 Selected as journal cover (2014). [pdf] [homepage]

  66. Christoffer Tyrsted, Nina Lock, Kirsten M. \O. Jensen, Mogens Christensen, Espen D. Bøjesen, Hermann Emerich, Gavin Vaughan, Simon J. L. Billinge and Bo B. Iversen, Evolution of atomic structure during nanoparticle synthesis, IUCrJ. 1, 165-171 (2014). [pdf] [homepage]

  67. E. S. Božin, K.R. Knox, P. Juhás, Y. S. Hor, J. F. Mitchell and S. J. L. Billinge, Cu(Ir1-xCrx)2S4: a model system for studying nanoscale phase coexistence at the metal-insulator transition, Sci. Rep. 4, 4081 (2014). [pdf] [homepage]

  68. K. R. Knox, E. S. Bozin, C. D. Malliakas, M. G. Kanatzidis and S. J. L. Billinge, Local off-centering symmetry breaking in the high temperature regime of SnTe, Phys. Rev. B 89, 014102 (2014). [pdf] [homepage]

  69. Joshua J. Choi, Xiaohao Yang, Zachariah M. Norman, Simon J. L. Billinge and Jonathan S. Owen, Structure of methylammonium lead iodide on mesoporous titanium dioxide: active material in high performance metal-organic solar cells, Nano Lett. 14, 127–133 (2014). [pdf] [homepage]

  70. S. J. L. Billinge, Nanometer scale structure from powder diffraction: Total scattering and atomic pair distribution function analysis, In International Tables of Crystallography, (International Union of Crystallography, Buffalo NY, 2014), Chris Gilmore and others, Eds., Vol. H pp. .

  71. Robert E. Dinnebier and Simon J. L. Billinge, Overview and Principles of Powder Diffraction, In International Tables of Crystallography, (International Union of Crystallography, Buffalo NY, 2014), Chris Gilmore and Henk Shenk and others, Eds., Vol. H pp. .

  72. Lei Hechang, Abeykoon Milinda, Wang Kefeng, Bozin Emil S., Ryu Hyejin, Graf D., Warren J. B. and Petrovic C., Physical properties of KxNi2-ySe2 single crystals, J. Phys: Condens. Mat. 26, 015701 (2014). [pdf] [homepage]

  73. F. Bridges, T. Keiber, P. Juhás, S. J. L. Billinge, L. Sutton, J. Wilde and G. R. Kowach, Local vibrations and negative thermal expansion in ZrW2O8, Phys. Rev. Lett. 112, 045505 (2014). [pdf] [homepage]

  74. Mengqiang Zhu, Paul Northrup, Chenyang Shi, Simon J. L. Billinge, Donald L. Sparks and Glenn A. Waychunas, The structure of sulfate adsorption complexes on ferrihydrite, Environ. Sci. Technol. Lett. 1, 97-101 (2014). [pdf] [homepage]

  75. K. R. Knox, A. M. M. Abeykoon, H. Zheng, W.-G. Yin, A. M. Tsvelik, J. F. Mitchell, S. J. L. Billinge and E. S. Bozin, Local structural evidence for strong electronic correlations in spinel LiRh2O4, Phys. Rev. B 88, 174114 (2013). [pdf] [homepage]

  76. Simon D. M. Jacques, Marco Di Michiel, Simon A. J. Kimber, Xiaohao Yang, Robert J. Cernik, Andrew M. Beale and Simon J. L. Billinge, Pair distribution function computed tomography, Nat. Commun. 4, 2536 (2013). [pdf] [homepage]

  77. Timur Davis, Matthew Johnson and Simon J. L. Billinge, Towards phase quantification at the nanoscale using the total scattering pair distribution function (TSPDF) method: recrystallization of cryomilled sulfamerazine, Cryst. Growth Des. 13, 4239–4244 (2013). [pdf] [homepage]

  78. Milinda Abeykoon, Emil S. Bozin, Genda Gu, John Hill, John Tranquada and Simon J. L. Billinge, Evidence for short-range-ordered charge stripes far above the charge-ordering transition in La1.67Sr0.33NiO4, Phys. Rev. Lett. 111, 096404 (2013). [pdf] [homepage]

  79. Simon J. L. Billinge, Nanoparticle structures served up on a tray, Nature 495, 453-454 (2013). [pdf] [homepage]

  80. Chenyang Shi, Erin L. Redmond, Amir Mazaheripour, Pavol Juhás, Thomas F. Fuller and Simon J. L. Billinge, Evidence for anomalous bond softening and disorder below 2 nm diameter in carbon supported platinum nanoparticles from the temperature dependent peak width of the atomic pair distribution function, J. Phys. Chem. C 117, 7226-7230 (2013). [pdf] [homepage]

  81. Xiaohao Yang, Ahmad S. Masadeh, James R. McBride, Emil S. Bozin, Sandra J. Rosenthal and Simon J. L. Billinge, Confirmation of disordered structure of ultrasmall CdSe nanoparticles from X-ray atomic pair distribution function analysis, Phys. Chem. Chem. Phys. 15, 8480-8486 (2013). [pdf] [homepage]

  82. Christopher L. Farrow, D. Kwabena Bediako, Yogesh Surendranath, Daniel G. Nocera and Simon J. L. Billinge, Intermediate-range structure of self-assembled cobalt-based oxygen evolving catalysts, J. Am. Chem. Soc. 135, 6403-6406 (2013). [pdf] [homepage]

  83. P. Juhás, T. Davis, C. L. Farrow and S. J. L. Billinge, PDFgetX3: A rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions, J. Appl. Crystallogr. 46, 560-566 (2013). [pdf] [homepage]

  84. Simon J. L. Billinge and Christopher L. Farrow, Towards a robust ad-hoc data correction approach that yields reliable atomic pair distribution functions from powder diffraction data, J. Phys: Condens. Mat. 25, 454202 (2013). [pdf] [homepage]

  85. Garcia-Fernandez M., Wilkins S., Lu M., Li Q., Gray K., Zheng H., Mitchell J. and Khomskii D., Antiferromagnetic domain structure in bilayer manganite, Phys. Rev. B 88, 075134 (2013). [pdf] [homepage]

  86. P. Tian, W. Zhou, J. Liu, Y. Shang, C. L. Farrow, P. Juhás and S. J. L. Billinge, SrRietveld: A program for automating Rietveld refinements for high throughput studies, J. Appl. Crystallogr. 46, 255-258 (2013). [pdf] [homepage]

  87. M. P. M. Dean, G. Dellea, R. S. Springell, F. Yakhou-Harris, K. Kummer, N. B. Brookes, X. Liu, Y.-J. Sun, J. Strle, T. Schmitt, L. Braicovich, G. Ghiringhelli, I. Bozovic and J. P. Hill, Persistence of magnetic excitations in La2−xSrxCuO4 from the undoped insulator to the heavily overdoped non-superconducting metal, Nat. Mater. 12, 1019–1023 (2013).

  88. X. Shi, D. Popović, C. Panagopoulos, G. Logvenov, A. T. Bollinger and I. Bozovic, Emergence of superconductivity from the dynamically heterogeneous insulating state in La2-xSrxCuO4, Nat. Mater. 12, 47-51 (2013).

  89. D. H. Torchinsky, F. Mahmood, A. T. Bollinger, I. Božović and N. Gedik, Fluctuating charge density waves in a cuprate superconductor, Nat. Mater. 12, 387-391 (2013).

  90. Hechang Lei, Kefeng Wang, Milinda Abeykoon, Emil S. Bozin and Cedomir Petrovic, New layered fluorosulfide SrFBiS2, Inorg. Chem. 52, 10685−10689 (2013). [pdf] [homepage]

  91. M. Vucinic-Vasic, E. S. Bozin, L. Bessais, G. Stojanovic, U. Kozmidis-Luburic, M. Abeykoon, B. Jancar, A. Meden, A. Kremenovic and B. Antic, Thermal evolution of cation distribution/crystallite size and their correlation with the magnetic state of Yb-substituted zinc ferrite nanoparticles, J. Phys. Chem. C 117, 12358-12365 (2013). [pdf] [homepage]

  92. V. Thampy, S. Blanco-Canosa, M. Garcia-Fernandez, M. P. M. Dean, G. D. Gu, M. Först, T. Loew, B. Keimer, M. Le Tacon, S. B. Wilkins and J. P. Hill , Comparison of charge modulations in La1.875Ba0.125CuO4 and YBa2Cu3O6.6, Phys. Rev. B 88, (2013). [homepage]

  93. S. J. L. Billinge, Pair distribution function technique: principles and methods, In Uniting Electron Crystallography and Powder Diffraction, (Springer Science \& Business Media, Dordrecht, 2013), U. Kolb and W. I. F. David and K. Shankland, Eds., of NATO Science for Peace and Security Series B: Physics and Biophysics, pp. 179 - 190. [homepage]

  94. S. I. Sanchez, M. W. Small, E. S. Bozin, J.-G. Wen, J.-M. Zuo and R. G. Nuzzo, Metastability and Structural Polymorphism in Noble Metals: The Role of Composition and Metal Atom Coordination in Mono- and Bimetallic Nanoclusters, ACS Nano 7, 1542 (2013). [pdf] [homepage]

  95. B. Antic, M. Perovic, A. Kremenovic, J. Blanusa, V. Spasojevic, P. Vulic, L. Bessais and E. S. Bozin, An integrated study of thermal treatment effects on the microstructure and magnetic properties of Zn ferrite nanoparticles, J. Phys: Condens. Mat. 25, 086001 (2013). [pdf] [homepage]

  96. H. Gretarsson, J. P. Clancy, X. Liu, J. P. Hill, E. S. Bozin, Y. Singh, S. Manni, P. Gegenwart, J. H. Kim, A. H. Said, D. Casa, T. Gog, M. H. Upton, H.-S. Kim, J. Yu, V. M. Katukuri, L. Hozoi, J. van den Brink and Y.-J. Kim, Crystal-Field Splitting and Correlation Effect on the Electronic Structure of A2IrO3, Phys. Rev. Lett. 110, 076402 (2013). [pdf] [homepage]

  97. Emil S. Bozin, Pavol Juhás and Simon J. L. Billinge, Local structure of bulk and nanocrystalline semiconductors using total scattering methods, In Characterization of semiconductor heterostructures and nanostructures, (Elsevier, Amsterdam, 2013), Giovanni Agostini and Carlo Lamberti, Eds., pp. 229-257.

  98. Simon J. L. Billinge, Systems and Methods for Educational Social Networking, Patent Pending (2013).

  99. T. Egami and S. J. L. Billinge, Underneath the Bragg peaks: structural analysis of complex materials, 2nd Ed.,Elsevier, Amsterdam, 2012. [homepage]

  100. S. J. L. Billinge, P. Juhás and E. S. Božin, Fundamentals of pair distribution function analysis, In Crystallography for Health and Biosciences, (Insubria University Press, Insubria Como Italy, 2012), A. Guagliardi and Norberto Masciocchi, Eds., pp. 163-176.

  101. H. C. Lei, K. F. Wang, R. W. Hu, H. J. Ryu, M. Abeykoon, E. S. Bozin and C. Petrovic, Iron chalcogenide superconductors at high magnetic fields, Sci. Technol. Adv. Mater. 13, 054305 (2012). [pdf] [homepage]

  102. Christoffer Tyrsted, Kirsten Marie \Ornsbjerg Jensen, Espen Drath B\ojesen, Nina Lock, Mogens Christensen, Simon J. L. Billinge and Bo Brummerstedt Iversen, Understanding the formation and evolution of ceria nanoparticles under hydrothermal conditions, Angew. Chem. Int. Edit. 51, 9030-9033 Selected by the editors as a ``Hot" paper for highlighting (2012). [pdf] [homepage]

  103. Q. Jie, R. W. Hu, E. S. Bozin, A. Llobet, I. Zaliznyak, C. Petrovic and Q. Li, Electronic thermoelectric power factor and Metal - Insulator transition in FeSb2, Phys. Rev. B 86, 115121 (2012). [pdf] [homepage]

  104. H. C. Lei, E. S. Bozin, A. Llobet, V. Ivanovski, V. Koteski, J. Belosevic-Cavor, B. Cekic and C. Petrovic, Frustrated magnetism in La2O3(Fe1-xMnx)2Se2 tuned by Fe/Mn ratio, Phys. Rev. B 86, 125122 (2012). [pdf] [homepage]

  105. Emil S. Božin, T. Chatterji and Simon J. L. Billinge, Local structure of ReO3 at ambient pressure from neutron total scattering study, Phys. Rev. B 86, 094110 (2012). [pdf] [homepage]

  106. Kirsten M. \O. Jensen, Emil S. Bozin, Christos D. Malliakas, Matthew B. Stone, Mark D. Lumsden, Mercouri G. Kanatzidis, Stephen M. Shapiro and Simon J. L. Billinge, Lattice dynamics reveals a local symmetry breaking in the emergent dipole phase of PbTe, Phys. Rev. B 86, 085313 Selected as PRB Editor's Suggestion paper (2012). [pdf] [homepage]

  107. N. Lazarevic, M. Abeykoon, P. W. Stephens, H. C. Lei, E. S. Bozin, C. Petrovic and Z. V. Popovic, Vacancy-induced nanoscale phase separation in KxFe2-ySe2 single crystals evidenced by Raman scattering and powder x-ray diffraction, Phys. Rev. B 86, 054503 (2012). [pdf] [homepage]

  108. I Sochnikov, Y Shokef, G Logvenov, I Božović, A Shaulov and Y Yeshurun, Fluxoid quantization effects in high-Tc superconducting double networks, J. Phys. Chem. Solids 400, 022109 (2012).

  109. V Gasparov and I. Bozovic, Magnetic field and temperature dependence of complex conductance of ultrathin La1.65Sr0.45CuO4/La2CuO4 films, Phys. Rev. B 86, 094523 (2012). [homepage]

  110. Milinda Abeykoon, Christos D. Malliakas, Pavol Juhás, Emil S. Bozin, Mercouri G. Kanatzidis and Simon J. L. Billinge, Quantitative nanostructure characterization using atomic pair distribution functions obtained from laboratory electron microscopes, Z. Kristallogr. 227, 248-256 Highlighted on the journal cover (2012). [pdf] [homepage]

  111. Kirsten M. \O Jensen, Mogens Christensen, Pavol Juhás, Christoffer Tyrsted, Espen D. B\ojesen, Nina Lock, Simon J. L. Billinge and Bo B. Iversen, Revealing the mechanisms behind SnO2 nanoparticle formation and growth during hydrothermal synthesis: an in situ total scattering study, J. Am. Chem. Soc. 134, 6785 - 6792 (2012). [pdf] [homepage]

  112. Erin L. Redmond, Brian P. Setzler, Pavol Juhás, Simon J. L. Billinge and Thomas F. Fuller, In-situ monitoring of particle growth at PEMFC cathode under accelerated cycling conditions, Electrochem. Solid St. 15, B72-B74 (2012). [pdf] [homepage]

  113. Mengqiang Zhu, Christopher L. Farrow, Jeffrey E. Post, Kenneth J. T. Livi, Simon J. L. Billinge, Matthew Ginder-Vogel and Donald L. Sparks, Structural study of biotic and abiotic poorly-crystalline manganese oxides using atomic pair distribution function analysis, Geochim. Cosmochim. Ac. 81, 39-55 (2012). [pdf] [homepage]

  114. William Schmidt, George Leroi, Simon Billinge, Leon Lederman, Audrey Champagne, Richard Hake, Paula Heron, Lillian McDermott, Fred Myers, Roland Otto, Jay Pasachoff, Carl Pennypacker and Paul Williams, Towards coherence in science instruction: A framework for science literacy, Michigan State University Research Report (2011).

  115. Brandi M. Cossairt, Pavol Juhás, Simon J. L. Billinge and Jonathan S. Owen, Tuning the surface structure and optical properties of CdSe clusters using coordination chemistry, J. Phys. Chem. Lett. 2, 3075-3080 (2011). [pdf] [homepage]

  116. Erin L. Redmond, Brian P. Setzler, Amir Masaheripour, Pavol Juhás, Simon J. L. Billinge and Thomas F. Fuller, Surface energy of supported platinum nanoparticles, ACS Nano , submitted (2011).

  117. Lorenzo Malavasi, Gianluca A Artioli, Hyunjeong Kim, Beatrice Maroni, Boby Joseph, Yang Ren, Thomas Proffen and Simon J L Billinge, Local structural investigation of SmFeAsO1-xFx high temperature superconductors, J. Phys: Condens. Mat. 23, 272201 (2011). [pdf] [homepage]

  118. Shu Li, Peng Tian, Michael Steigerwald, Louis Brus, Simon J. L. Billinge, Paul Zimmerman and Nicholas Turro, HfOx(OSiEt3)4-2x: a highly soluble hafnia nanosponge, Chem. Mater. , submitted (2011).

  119. A. Kremenovic, B. Antic, J. Blanusa, M. Comor, P. Colomban, L. Mazerolles and E. S. Bozin, Heterogeneity and Disorder in Ti1-xFeyO2-d Nanocrystal Rutile-Based Flowerlike Aggregates: Detection of Anatase, J. Phys. Chem. C 115, 4395 (2011). [pdf] [homepage]

  120. Hechang Lei, Milinda Abeykoon, Emil S. Bozin and C. Petrovic, Spin-glass behavior of semiconducting KxFe2-yS2, Phys. Rev. B 83, 180503 (2011). [pdf] [homepage]

  121. Rongwei Hu, Hechang Lei, Milinda Abeykoon, Emil S. Bozin, Simon J. L. Billinge, J. B. Warren, Theo Siegrist and C. Petrovic, Synthesis crystal structure and magnetism of beta-Fe1.00(2)Se1.00(3) single crystals, Phys. Rev. B 83, 224502 (2011). [pdf] [homepage]

  122. Hechang Lei, Emil S. Bozin, Kefeng Wang and C. Petrovic, Antiferromagnetism in semiconducting KFe0.85Ag1.15Te2 single crystals, Phys. Rev. B 84, 060506 (2011). [pdf] [homepage]

  123. Hechang Lei, Milinda Abeykoon, Emil S. Bozin, Kefeng Wang, J. B. Warren and C. Petrovic, Phase diagram of KxFe2-ySe2-zSz and the suppression of its superconducting state by an Fe2-Se/S tetrahedron distortion, Phys. Rev. Lett. 107, 137002 (2011). [pdf] [homepage]

  124. E. S. Božin, A. S. Masadeh, Y. S. Hor, J. F. Mitchell and S. J. L. Billinge, Detailed mapping of the local Ir4+ dimers through the metal-insulator transitions of CuIr2S4 thiospinel by x-ray atomic pair distribution function measurements, Phys. Rev. Lett. 106, 045501 (2011). [pdf] [homepage]

  125. Peng Tian and Simon J. L. Billinge, Testing different methods for estimating uncertainties on Rietveld refined parameters using SrRietveld, Z. Kristallogr. 226, 898-904 (2011). [pdf] [homepage]

  126. Peng Tian, Yanhua Zhang, Keerthi Senevirathne, Stephanie L. Brock, Ambesh Dixit, Gavin Lawes and Simon J. L. Billinge, Diverse structural and magnetic properties of differently prepared MnAs nanoparticles, ACS Nano 5, 2970-2978 (2011). [pdf] [homepage]

  127. L. S. Bilbro, R. Valdés Aguilar, G. Logvenov, O. Pelleg, I. Bozovic and N. P. Armitage, Temporal correlations of superconductivity above the transition temperature in La2−xSrxCuO4 probed by terahertz spectroscopy, Nat. Phys. 7, 298-302 (2011). [homepage]

  128. Timur Dykhne, Ryan Taylor, Alastair Florence and Simon J. L. Billinge, Data requirements for the reliable use of atomic pair distribution functions in amorphous pharmaceutical fingerprinting, Pharmaceut. Res. 28, 1041-1048 (2011). [pdf] [homepage]

  129. C. H. Booth, E. D. Bauer, E. S. Božin, S. J. L. Billinge and M. D. Walter, Pair-distribution function analysis of the structural valence transition in Cp2* Yb(44'-Me2-bipy), J. Phys.: Conf. Ser. 273, 012149 (2011). [pdf] [homepage]

  130. Christopher L. Farrow, Margaret Shaw, Hyun-Jeong Kim, Pavol Juhás and Simon J. L. Billinge, The Nyquist-Shannon sampling theorem and the atomic pair distribution function, Phys. Rev. B 84, 134105 (2011). [pdf] [homepage]

  131. Simon J. L. Billinge, Hard x-ray lasers take their first steps towards nanostructure solution, Condensed Matter Physics Journal Club , (2011). [pdf] [homepage]

  132. Timur D. Davis, Fingerprinting Analysis of Non-crystalline Pharmaceutical Compounds Using High Energy X-rays and the Total Scattering Pair Distribution Function, PhD Thesis, Columbia University, 2011.

  133. Emil S. Bozin, Christos D. Malliakas, Petros Souvatzis, Thomas Proffen, Nicola A. Spaldin, Mercouri G. Kanatzidis and Simon J. L. Billinge, Entropically stabilized local dipole formation in lead chalcogenides, Science 330, 1660 (2010). [pdf] [homepage]

  134. V. A. Blagojevic, J. P. Carlo, L. E. Brus, M. L. Steigerwald, Y. J. Uemura, S. J. L. Billinge, W. Zhou, P. Stephens, A. A. Aczel and G. M. Luke, Magnetic phase transition in V2O3 nanocrystals, Phys. Rev. B 82, 094453 (2010). [pdf] [homepage]

  135. Simon J. L. Billinge, Timur Dykhne, Pavol Juhás, Emil Božin, Ryan Taylor, Alastair J. Florence and Kenneth Shankland, Characterisation of amorphous and nanocrystalline molecular materials by total scattering, CrystEngComm 12, 1366-1368 (2010). [pdf] [homepage]

  136. Simon J. L. Billinge, The nanostructure problem, Physics 3, 25 (2010). [pdf] [homepage]

  137. Ashfia Huq, Richard Welberry and Emil Bozin, Advances in structural studies of materials using scattering probes, Bulletin of the Materials Research Society 35, 520 (2010). [pdf]

  138. S. J. L. Billinge and E. S. Božin, Pair distribution function technique: principles and methods, In Diffraction at the Nanoscale: Nanocrystals Defective and Amorphous Materials, (Insubria University Press, Insubria Como Italy, 2010), A. Guagliardi and Norberto Masciocchi, Eds., pp. 97-106.

  139. Paul Evans and Simon J. L. Billinge, Advances in scattering probes for materials, Bulletin of the Materials Research Society , (2010). [pdf] [homepage]

  140. C. L. Farrow, C.-Y. Ruan and S. J. L. Billinge, Quantitative nanoparticle structures from electron crystallography data, Phys. Rev. B 81, 124104 (2010). [pdf] [homepage]

  141. J. C. Zheng, A. I. Frenkel, L. Wu, J. Hanson, W. Ku, E. S. Božin, S. J. L. Billinge and Y. Zhu, Nanoscale disorder and local electronic properties of CaCu3Ti4O12: An integrated study of electron neutron and x-ray diffraction x-ray absorption fine structure and first principles calculations, Phys. Rev. B 81, 144203 (2010). [pdf] [homepage]

  142. P. Juhás, L. Granlund, S. R. Gujarathi, P. M. Duxbury and S. J. L. Billinge, Crystal structure solution from experimentally determined atomic pair distribution functions, J. Appl. Crystallogr. 42, 623-629 (2010). [pdf] [homepage]

  143. Carrie A. Simpson, Christopher L. Farrow, Peng Tian, Simon J. L. Billinge, Brian J. Huffman, Kellen M. Harkness and David E. Cliffel, Tiopronin gold nanoparticle precursor forms auriophilic ring tetramer, Inorg. Chem. 49, 10858 - 10866 (2010). [pdf] [homepage]

  144. E. S. Božin, P. Juhás, W. Zhou, M. B. Stone, D. L. Abernathy, A. Huq and S. J. L. Billinge, Quantitative structure refinement from the ARCS chopper spectrometer, J. Phys.: Conf. Ser. 251, 012080 (2010). [pdf] [homepage]

  145. Simon J. L. Billinge, Nanostructure in technicolor, Condensed Matter Physics Journal Club , (2010). [pdf] [homepage]

  146. Simon J. L. Billinge, Alastair Florence and Kenneth Shankland , X-Ray characterization of solid small molecule organic materials, Patent Pending US20110106455A1 (2009).

  147. Simon J. L. Billinge, Alastair Florence and Kenneth Shankland , X-Ray characterization of solid small molecule organic materials, Patent Cooperative Treaty Filing PCT/US10/001567 (2009).

  148. Rongwei Hu, Emil S. Bozin, John B. Warren and Cedomir Petrovic, Superconductivity magnetism and stoichiometry of single crystals of Fe1+y(Te1-xSx)z, Phys. Rev. B 80, 214514 (2009). [pdf]

  149. N. G. Jovic, A. S. Masadeh, A. S. Kremenovic, B. V. Antic, J. L. Blanusa, N. D. Cvjeticanin, G. F. Goya, M. V. Antisari and E. S. Bozin, Effects of thermal annealing on structural and magnetic properties of lithium ferrite nanoparticles, J. Phys. Chem. C 113, 20559-20567 (2009). [pdf]

  150. Simon Billinge, Greg Smith, Al Ekkebus and Bruce Gaulin, International Conference on Neutron Scattering 2009 (ICNS09), Neutron News 20, (2009). [homepage]

  151. E. S. Božin, P. Juhás, W. Zhou, M. B. Stone, D. L. Abernathy, A. Huq and S. J. L. Billinge, Atomic pair distribution function analysis from the ARCS chopper spectrometer at the Spallation Neutron Source, J. Appl. Crystallogr. 42, 724-725 (2009). [pdf] [homepage]

  152. S. J. L. Billinge, How do your crystals grow?, Nat. Phys. 5, 13 - 14 [News and Views article describing Chung S.-Y. Kim Y.-M. Kim J.-G. and Kim Y.-J. Nature Phys. 5 68-73 (2009)] (2009). [pdf] [homepage]

  153. J. E. Greedan, Delphine Gout, A. D. Lozano, Shahab Derahkshan, Th. Proffen, H-J. Kim, E. S. Božin and S. J. L. Billinge, The Local and average structures of the spin-glass pyrochlore Y2Mo2O7 from neutron diffraction and neutron pair distribution function analysis, Phys. Rev. B 79, 014427 (highlighted as an "editors' selection") (2009). [pdf] [homepage]

  154. Simon J. L. Billinge, X-ray Specs: 3D nano-scale resolution imaging with x-rays, Condensed Matter Physics Journal Club , (2009). [pdf] [homepage]

  155. C. L. Farrow and S. J. L. Billinge, Relationship between the atomic pair distribution function and small angle scattering: implications for modeling of nanoparticles, Acta Crystallogr. A 65, 232-239 (2009). [pdf] [homepage]

  156. H. Lin, E. S. Bozin, S. J. L. Billinge, J. Androulakis, C. H. Lin and M. G. Kanatzidis, Phase separation and nanostructuring in the thermoelectric material PbTe1-xSx studied using the atomic pair distribution function technique, Phys. Rev. B 80, 045204 (2009). [pdf] [homepage]

  157. Simon J. L. Billinge, Towards a Humpty Dumpty approach for solving the structure of individual nanoparticles, Condensed Matter Physics Journal Club , (2008). [pdf] [homepage]

  158. Simon J. L. Billinge, Nanoparticle structure: going beyond pictures, Condensed Matter Physics Journal Club , (2008). [pdf] [homepage]

  159. P. Juhás, L. Granlund, P. M. Duxbury, W. F. Punch and S. J. L. Billinge, The Liga algorithm for ab initio determination of nanostructure, Acta Crystallogr. A 64, 631-640 (2008). [pdf] [homepage]

  160. E. S. Božin, A. Sartbaeva, H. Zheng, S. A. Wells, J. F. Mitchell, Th. Proffen, M. F. Thorpe and S. J. L. Billinge, Structure of CaMnO3 in the range 10K<= T<= 550K from neutron time-of-flight total scattering, J. Phys. Chem. Solids 69, 2146 - 2150 (2008). [pdf] [homepage]

  161. Monica Dapiaggi, HyunJeong Kim, Emil S. Božin, Simon J. L. Billinge and Gilberto Artioli , Study of the negative thermal expansion of cuprite-type structures by means of temperature-dependent pair distribution function analysis: Preliminary results, J. Phys. Chem. Solids 69, 2182 - 2186 (2008). [pdf] [homepage]

  162. A. F. Gualtieri, S. Ferrari, M. Leoni, G. Grathoff, R. Hugo, M. Shatnawi, G. Paglia and S. Billinge, Structural characterization of the clay mineral illite-1M, J. Appl. Crystallogr. 41, 402-415 (2008). [pdf] [homepage]

  163. Simon J. L. Billinge, Nanoscale structural order from the atomic pair distribution function (PDF): There's plenty of room in the middle, J. Solid State Chem. 181, 1695-1700 (2008). [pdf] [homepage]

  164. S. J. L. Billinge, Local structure from total scattering and atomic pair distribution function (PDF) analysis, In Powder diffraction: theory and practice, (Royal Society of Chemistry, London England, 2008), Robert E. Dinnebier and Simon J. L. Billinge, Eds., pp. 464 - 493. [homepage]

  165. Robert E. Dinnebier and Simon J. L. Billinge, Editor, Powder diffraction: theory and practice, Royal Society of Chemistry, London England, 2008. [homepage]

  166. Moneeb T. M. Shatnawi, Christopher L. Farrow, Ping Chen, Punit Boolchand, Asel Sartbaeva, M. F. Thorpe and Simon J. L. Billinge, Search for a structural response to the intermediate phase in GexSe1-x glasses, Phys. Rev. B 77, 94134 (2008). [pdf] [homepage]

  167. R. J. Worhatch, H. J. Kim, I. P. Swainson, A. L. Yonkeu and S. J. L. Billinge, Study of local structure in selected cubic organic-inorganic perovskites, Chem. Mater. 20, 1272-1277 (2008). [pdf] [homepage]

  168. Simon J. L. Billinge, Structure solution of real materials: charge flipping can help, Condensed Matter Physics Journal Club , (2007). [pdf] [homepage]

  169. G. Campi, Th. Proffen, X. Qiu, E. S. Bozin, S. J. L. Billinge, S. Agrestini, N. L. Saini and A. Bianconi, Local lattice dynamics in the Mg0.5Al0.5B2 superconductor, J. Supercond. Novel Magn. 20, 505-510 (2007). [pdf] [homepage]

  170. S. J. L. Billinge and I. Levin, The problem with determining atomic structure at the nanoscale, Science 316, 561-565 (2007). [pdf] [homepage]

  171. A. Sartbaeva, S. A. Wells, M. F. Thorpe, E. S. Bozin and S. J. L. Billinge, Quadrupolar Ordering in LaMnO3 Revealed from Scattering Data and Geometric Modeling, Phys. Rev. Lett. 99, 155503 (2007). [pdf] [homepage]

  172. F. Inam, Moneeb T. Shatnawi, D. Tafen, S. J. L. Billinge, P. Chen and D. A. Drabold, An intermediate phase in GexSe1-x glasses: experiment and simulation, J. Phys: Condens. Mat. 19, 455206 (2007). [pdf] [homepage]

  173. Hasan Yavas, E. Ercan Alp, Harald Sinn, Ahmet Alatas, Ayman Said, Yuri Shvyd'ko, Thomas Toellner, Ruben Khachatryan, Simon J. L. Billinge, M. Zahid Hasan and Wolfgang Sturhahn, Sapphire analyzers for high-resolution x-ray spectroscopy, Nucl. Instrum. Methods A 582, 149-151 (2007). [pdf] [homepage]

  174. L. Malavasi, S. J. L. Billinge, H. J. Kim, Th. Proffen, C. Tealdi and G. Flor, Nature of the monoclinic to cubic phase transition in the fast oxygen ion conductor La2Mo2O9 (LAMOX), J. Am. Chem. Soc. 129, 6903-6907 (2007). [pdf] [homepage]

  175. A. S. Masadeh, E. S. Bozin, C. L. Farrow, G. Paglia, P. Juhás, A. Karkamkar, M. G. Kanatzidis and S. J. L. Billinge, Quantitative size-dependent structure and strain determination of CdSe nanoparticles using atomic pair distribution function analysis, Phys. Rev. B 76, 115413 (2007). [pdf] [homepage]

  176. S. J. L. Billinge, Nanostructure studied using the atomic pair distribution function, Z. Kristallogr. Suppl. 26, 17-26 (2007). [pdf] [homepage]

  177. E. Bozin, X. Qiu, R. J. Worhatch, G. Paglia, M. Schmidt, P. G. Radaelli, J. F. Mitchell, T. Chatterji, Th. Proffen and S. J. L. Billinge, Utilizing total scattering to study the Jahn-Teller transition in La1-xCaxMnO3, Z. Kristallogr. Suppl. 26, 429-434 (2007). [pdf] [homepage]

  178. C. L. Farrow, P. Juhás, Jiwu Liu, D. Bryndin, E. S. Bozin, J. Bloch, Th. Proffen and S. J. L. Billinge, PDFfit2 and PDFgui: Computer programs for studying nanostructure in crystals, J. Phys: Condens. Mat. 19, 335219 (2007). [pdf] [homepage]

  179. Mouath Shatnawi, Gianluca Paglia, James L. Dye, Kevin D. Cram, Michael Lefenfeld and Simon J. L. Billinge, Structures of alkali metals in silica gel nanopores: new materials for chemical reductions and hydrogen production, J. Am. Chem. Soc. 129, 1386-1392 (2007). [pdf] [homepage]

  180. E. S. Bozin, M. Schmidt, A. J. DeConinck, G. Paglia, J. F. Mitchell, T. Chatterji, P. G. Radaelli, Th. Proffen and S. J. L. Billinge, Understanding the insulating phase in CMR manganites: Shortening of the Jahn-Teller long-bond across the phase diagram of La1-xCaxMnO3, Phys. Rev. Lett. 98, 137203 (2007). [pdf] [homepage]

  181. Shahab Derakhshan, Abdeljalil Assoud, Katja M. Kleinke, Trupti Khaire, Ahmad S. Masadeh, Simon J. L. Billinge and Holger Kleinke, Square net distortion engineering in the ternary variants of titanium antimonide Ti2-\deltaM\deltaSb (M=Zr Hf), Intermetallics 15, 1071-1077 (2007). [pdf] [homepage]

  182. H. J. Kim, E. S. Bozin, S. M. Haile, G. J. Snyder and S. J. L. Billinge, Presence of nano-scale \alpha-structural domains in the phonon-glass thermoelectric material \beta-Zn4Sb3, Phys. Rev. B 75, 134103 (2007). [pdf] [homepage]

  183. Valentin A. Levashov, S. J. L. Billinge and M. F. Thorpe, Quantum correction to the pair distribution function, J. Comput. Chem. 28, 1865-1882 (2007). [pdf] [homepage]

  184. Mouath Ghazi Shatnawi, Local Structure of Intercalants and Host Nanoporous Materials, PhD Thesis, Michigan State University, 2007.

  185. P. Juhás, D. M. Cherba, P. M. Duxbury, W. F. Punch and S. J. L. Billinge, Ab initio determination of solid-state nanostructure, Nature 440, 655-658 (2006). [pdf] [homepage]

  186. S. J. L. Billinge, Structure Determination and Phase Analysis using Neutron Diffraction, JOM-J. Min. Met. Mat. S. 58, 47-51 (2006). [pdf] [homepage]

  187. A. Sartbaeva, S. A. Wells, M. F. Thorpe, E. S. Bozin and S. J. L. Billinge, Geometric Simulation of Perovskite Frameworks with Jahn-Teller Distortions: Applications to the Cubic Manganites, Phys. Rev. Lett. 97, 065501 (2006). [pdf] [homepage]

  188. S. J. L. Billinge K. Rajan S. B. Sinnott, From Cyberinfrastructure to Cyberdiscovery in Materials Science: Enhancing outcomes in materials research education and outreach, Report of the NSF-DMR Cyberinfrastructure Steering Committee 2006. http://www.mcc.uiuc.edu/nsf/ciw\_2006/ (2006). [homepage]

  189. H. J. Kim, C. D. Malliakas, A. Tomic, S. H. Tessmer, M. G. Kanatzidis and S. J. L. Billinge, Local atomic structure and discommensurations in the charge density wave of CeTe3, Phys. Rev. Lett. 96, 226401 (2006). [pdf] [homepage]

  190. G. Campi, E. Cappelluti, Th. Proffen, X. Qiu, E. S. Bozin, S. J. L. Billinge, S. Agrestini, N. L. Saini and A. Bianconi, Study of temperature dependent atomic correlations in MgB2, Eur. Phys. J. B 52, 15-21 (2006). [pdf] [homepage]

  191. G. Paglia, E. S. Bozin, D. Vengust, D. Mihailovic and S. J. L. Billinge, Accurate structure determination of Mo6SyIz nanowires from PDF analysis, Chem. Mater. 18, 100-106 (2006). [pdf] [homepage]

  192. G. Paglia, E. S. Bozin and S. J. L. Billinge, Fine-Scale Nanostructure in γ-Al2O3, Chem. Mater. 18, 3242-3248 (2006). [pdf] [homepage]

  193. E. S. Božin, X. Qiu, M. Schmidt, G. Paglia, J. F. Mitchell, P. G. Radaelli, Th. Proffen and S. J. L. Billinge, Local structural aspects of the orthorhombic to pseudo-cubic phase transformation in La1-xCaxMnO3, Physica B 385-386, 110-112 (2006). [pdf] [homepage]

  194. Xiangyun Qiu, Th. Proffen, J. F. Mitchell and S. J. L. Billinge, Orbital correlations in the pseudocubic O and rhombohedral R-phases of LaMnO3, Phys. Rev. Lett. 94, 177203 (2005). [pdf] [homepage]

  195. E. S. Bozin and S. J. L. Billinge, Nominal doping and partition of doped holes between planar and apical orbitals in La2-xSrxCuO4, Phys. Rev. B 72, 174427 (2005). [pdf] [homepage]

  196. He Lin, E. S. Bozin, S. J. L. Billinge, Eric Quarez and M. G. Kanatzidis, Nanoscale clusters in the high performance thermoelectric AgPbmSbTem+2, Phys. Rev. B 72, 174113 (2005). [pdf] [homepage]

  197. David Cherba, William Punch, Phil Duxbury, Simon J. L. Billinge and Pavol Juhás, Conformation of an Ideal Bucky Ball Molecule by Genetic Algorithm and Geometric Constraint from Pair Distance Data, In GECCO-2005 Genetic and Evolutionary Computation Conference Proceedings, (, New York, 2005), , Eds., pp. . [pdf] [homepage]

  198. S. Brühne, E. Uhrig, K.-D. Luther, W. Assmus, M. Brunelli, A. S. Masadeh and S. J. L. Billinge, PDF from X-ray powder diffraction for nanometer-scale atomic structure analysis of quasicrystalline alloys, Z. Kristallogr. 220, 962-967 (2005). [pdf] [homepage]

  199. V. A. Levashov, S. J. L. Billinge and M. F. Thorpe, Density fluctuations and the pair distribution function, Phys. Rev. B 72, 024111 (2005). [pdf] [homepage]

  200. Simon J. L. Billinge, Emily J. McKimmey, Mouath Shatnawi, Hyun Jeong Kim, Valeri Petkov, Didier Wermeille and Thomas J. Pinnavaia, Mercury Binding Sites in Thiol-Functionalized Mesostructured Silica, J. Am. Chem. Soc. 127, 8492-8498 (2005). [pdf] [homepage]

  201. S. Brühne, E. Uhrig, C. Gross, W. Assmus, A. S. Masadeh and S. J. L. Billinge, The local atomic quasicrystal structure of the icosahedral Mg25Y11Zn64 alloy, J. Phys: Condens. Mat. 17, 1561-1572 (2005). [pdf] [homepage]

  202. C. Malliakas, S. J. L. Billinge, H.-J. Kim and M. G. Kanatzidis, Square nets of tellurium: Rare-earth dependent variation in the charge-density wave of RETe3 (RE= rare earth element), J. Am. Chem. Soc. 127, 6510-6511 (2005). [pdf] [homepage]

  203. S. Vensky, L. Kienle, R. E. Dinnebier, A. S. Masadeh, S. J. L. Billinge and M. Jansen, The real structure of Na3BiO4 by electron microscopy HR-XRD and PDF analysis, Z. Kristallogr. 220, 231-244 (2005). [pdf] [homepage]

  204. Pantelis N. Trikalitis, Nan Ding, Chris Malliakas, Simon J. L. Billinge and Mercouri G. Kanatzidis, Mesostructured Selenides with Cubic MCM-48 Type Symmetry: Large Framework Elasticity and Uncommon Resiliency to Strong Acids , J. Am. Chem. Soc. 126, 15326-15327 (2004). [pdf] [homepage]

  205. X. Qiu, S. J. L. Billinge, C. R. Kmety and J. F. Mitchell, Evidence for nano-scale inhomogeneities in bilayer manganites in the Mn4+ rich region: 0.54 <=q x <=q 0.80, J. Phys. Chem. Solids 65, 1423-1429 (2004). [pdf] [homepage]

  206. Chupas P. J., Chaudhuri S., Hanson J. C., Qiu X., Lee P. L., Shastri S. D., Billinge S. J. L. and Grey C. P., Probing local and long-range structure simultaneously: an in-situ study of the high-temperature phase transition of \alpha-AlF3, J. Am. Chem. Soc. 126, 4756-4757 (2004). [pdf] [homepage]

  207. Xiangyun Qiu, Jeroen W. Thompson and Simon J. L. Billinge, PDFgetX2: a GUI driven program to obtain the pair distribution function from X-ray powder diffraction data, J. Appl. Crystallogr. 37, 678 (2004). [pdf] [homepage]

  208. Shahab Derakhshan, Abdeljalil Assoud, Enkhtsetseg Dashjav, Xiangyun Qiu, Simon J. L. Billinge and Holger Kleinke, Planar nets of Ti atoms comprising squares and rhombs in the new binary antimonide Ti2Sb, J. Am. Chem. Soc. 126, 8295-8302 (2004). [pdf] [homepage]

  209. S. J. L. Billinge and M. G. Kanatzidis, Beyond crystallography: the study of disorder nanocrystallinity and crystallographically challenged materials, Chem. Commun. 7, 749-760 (2004). [pdf] [homepage]

  210. Xiangyun Qiu, Emil S. Bozin, Pavol Juhás, Thomas Proffen and Simon J. L. Billinge, Reciprocal space instrumental effects on the real space neutron atomic pair distribution function, J. Appl. Crystallogr. 37, 110-116 (2004). [pdf] [homepage]

  211. S. J. L. Billinge, The atomic pair distribution function: past and present, Z. Kristallogr. 219, 117-121 (2004). [pdf] [homepage]

  212. B. H. Toby and S. J. L. Billinge, Determination of standard uncertainties in fits to pair distribution functions, Acta Crystallogr. A 60, 315-317 (2004). [pdf] [homepage]

  213. E. S. Bozin, V. Petkov, P. W. Barnes, P. M. Woodward, T. Vogt, S. D. Mahanti and S. J. L. Billinge, Temperature dependent total scattering structural study of CaCu3Ti4O12, J. Phys: Condens. Mat. 16, S5091-S5102 (2004). [pdf] [homepage]

  214. M. Schmidt, P. G. Radaelli, M. J. Gutmann, S. J. L. Billinge, N. Hur and S.-W. Cheong, Temperature-induced barium de-trapping from a double-well potential in Ba6Ge25, J. Phys: Condens. Mat. 16, 7287-7302 (2004). [pdf] [homepage]

  215. Xiangyun Qiu, Local Structure Study Of Disordered Crystalline Materials With The Atomic Pair Distribution Function Method, PhD Thesis, Michigan State University, 2004.

  216. Peter J. Chupas, Clare P. Grey, Jonathan C. Hanson, Jae-Yong Kim, Jose Rodriguez, Xiangyun Qiu, Simon J. L. Billinge and Peter L. Lee, In-situ time resolved powder diffraction studies in heterogenous catalysis; coupling the study of long range and local structural changes, Commission on Powder Diffraction Newsletter International Union of Crystallography , 24-25 (2003).

  217. Peter J. Chupas, Xiangyun Qiu, J. C. Hanson, P. L. Lee, Clare P. Grey and Simon J. L. Billinge, Rapid acquisition pair distribution function analysis (RA-PDF), J. Appl. Crystallogr. 36, 1342-1347 (2003). [pdf] [homepage]

  218. Th. Proffen, S. J. L. Billinge, T. Egami and D. Louca, Structural analysis of complex materials using the atomic pair distribution function - a practical guide, Z. Kristallogr. 218, 132-143 (2003). [pdf] [homepage]

  219. I. K. Jeong, R. H. Heffner, M. J. Graf and S. J. L. Billinge, Lattice dynamics and correlated atomic motion from the atomic pair distribution function, Phys. Rev. B 67, 104301 (2003). [pdf] [homepage]

  220. S. J. L. Billinge, Strain nano-phase separation multi-scale structures and function of advanced materials, In Intrinsic Multiscale Structure and Dynamics of Complex Electronic Oxides, (World Scientific, Singapore, 2003), S. Shenoy and A. R. Bishop, Eds., pp. 25 - 40. [pdf] [homepage]

  221. T. Egami and S. J. L. Billinge, Underneath the Bragg peaks: structural analysis of complex materials, Pergamon Press Elsevier, Oxford England, 2003.

  222. P. F. Peterson, E. S. Bozin, Th. Proffen and S. J. L. Billinge, Improved measures of quality for atomic pair distribution functions, J. Appl. Crystallogr. 36, 53 (2003). [pdf] [homepage]

  223. S. J. L. Billinge, M. Gutmann and E. S. Bozin, Structural response to local charge order in underdoped but superconducting La2-x(SrBa)xCuO4, Int. J. Mod. Phys. B 17, 3640 (2003). [pdf] [homepage]

  224. V. Yu. Pomjakushin, A. M. Balagurov, T. V. Elzhov, D. V. Sheptyakov, P. Fischer, D. I. Khomskii, V. Yu. Yushankhai, A. M. Abakumov, M. G. Rozova, E. V. Antipov, M. V. Lobanov and S. J. L. Billinge, Atomic and magnetic structures disorder effects and unconventional superexchange interactions in A2MnGaO5+\delta (A=SrCa) oxides with layered brownmillerite-type structure, Phys. Rev. B 66, 184412 (2002). [pdf] [homepage]

  225. S. J. L. Billinge, Complex materials: beyond crystallography, Z. Kristallogr. 217, 282 invited contribution (2002). [pdf] [homepage]

  226. S. J. L. Billinge and M. F. Thorpe, Editor, From semiconductors to proteins, Kluwer/Plenum, New York, 2002. [homepage]

  227. S. J. L. Billinge and P. M. Duxbury, Structural compliance misfit strain and stripe nanostructures in cuprate superconductors; implications and experimental observations, Int. J. Mod. Phys. B 16, 1697 (2002). [pdf] [homepage]

  228. V. Petkov, S. J. L. Billinge, T. Vogt, A. S. Ichimura and J. L. Dye, Structure of intercalated Cs in zeolite ITQ-4: an array of metal ions and electrons confined in a pseudo-1D nanoporous host, Phys. Rev. Lett. 89, 075502 (Highlighted in Phys. Rev. Focus: http://focus.aps.org/story/v10/st4) (2002). [pdf] [homepage]

  229. V. Petkov, P. N. Trikalitis, E. S. Bozin, S. J. L. Billinge, T. Vogt and M. G. Kanatzidis , Structure of V2O5.nH2O xerogel solved by the atomic pair distribution function technique, J. Am. Chem. Soc. 124, 10157 (2002). [pdf] [homepage]

  230. Th. Proffen, V. Petkov, S. J. L. Billinge and T. Vogt, Chemical short range order obtained from the atomic pair distribution function, Z. Kristallogr. 217, 47 (2002). [pdf] [homepage]

  231. S. J. L. Billinge and P. M. Duxbury, Structural compliance misfit strain and stripe nanostructures in cuprate superconductors, Phys. Rev. B 66, 064529 (2002). [pdf] [homepage]

  232. T. R. Pauly, V. Petkov, Y. Liu, S. J. L. Billinge and T. J. Pinnavaia, Role of framework sodium versus local framework structure in determining the hydrothermal stability of MCM-41 mesostructures, J. Am. Chem. Soc. 124, 99-105 (2002). [pdf] [homepage]

  233. V. Petkov and S. J. L. Billinge, From crystals to nanocrystals: semiconductors and beyond, In From semiconductors to proteins: beyond the average structure, (Kluwer/Plenum, New York, 2002), S. J. L. Billinge and M. F. Thorpe , Eds., pp. 153. [pdf] [homepage]

  234. M. F. Thorpe, V. A. Levashov, M. Lei and S. J. L. Billinge, Notes on the analysis of data for pair distribution functions, In From semiconductors to proteins: beyond the average structure, (Kluwer/Plenum, New York, 2002), S. J. L. Billinge and M. F. Thorpe , Eds., pp. 105-128. [pdf] [homepage]

  235. B. J. Campbell, S. J. L. Billinge, J. W. Lynn, R. Osborn and S. K. Sinha, The structure of Jahn-Teller polarons in the colossal magnetoresistive manganites, In From semiconductors to proteins: beyond the average structure, (Kluwer/Plenum, New York, 2002), S. J. L. Billinge and M. F. Thorpe, Eds., pp. 183. [pdf] [homepage]

  236. M. G. Gutmann, E. S. Bozin, S. J. L. Billinge, N. A. Babushkina, L. M. Belova, A. R. Kaul and O. Yu Gorbenko, Temperature evolution of the local atomic structure in oxygen isotope substituted Pr0.525La0.175Ca0.3MnO3, Appl. Phys. A 74, 892 (2002). [pdf] [homepage]

  237. Th. Proffen and S. J. L. Billinge, Probing the local structure of doped manganites using the atomic pair distribution function, Appl. Phys. A 74, 1770 (2002). [pdf] [homepage]

  238. Th. Proffen, T. Egami, S. J. L. Billinge, A. K. Cheetham, D. Louca and J. B. Parise, Building a high resolution total scattering powder diffractometer - upgrade of NPD at MLNSC, Appl. Phys. A 74, s163-s165 (2002). [pdf] [homepage]

  239. D.V. Sheptyakov, A.M. Abakumov, E.V. Antipov, A.M. Balagurov, S. J. L. Billinge, P. Fischer, L. Keller, M.V. Lobanov, B.Ph. Pavlyuk, V. Yu. Pomjakushin and M.G. Rozova , Crystal and magnetic structures of new layered oxides A2GaMnO5+y (A=Ca Sr), Appl. Phys. A 74, 1734 (2002). [pdf] [homepage]

  240. V. Petkov, S. J. L. Billinge, P. Larson, S. D. Mahanti, T. Vogt, K. K. Rangan and M. G. Kanatzidis, Structure of nanocrystalline materials using atomic pair distribution function analysis: study of LiMoS2, Phys. Rev. B 65, 092105 (2002). [pdf] [homepage]

  241. R. Patschke, J. D. Breshears, P. Brazis, C. R. Kannewurf, S. J. L. Billinge and M. G. Kanatzidis, CuxUTe3: Stabilization of UTe3 in the ZrSe3 Structure Type via Copper Insertion. The Artifact of Te-Te Chains and Evidence for Distortions Due to Long Range Modulations , J. Am. Chem. Soc. 123, 4755 (2001). [pdf] [homepage]

  242. Th. Proffen, R. B. Neder and S. J. L. Billinge, Teaching diffraction using computer simulations over the internet, J. Appl. Crystallogr. 34, 767 (2001). [pdf] [homepage]

  243. V. Petkov, M. G. Kanatzidis, T. Vogt and S. J. L. Billinge, Structure of crystallographically challenged materials by profile analysis of atomic pair distribution functions: study of LiMoS2 and mesostructured MnGe4S10, Mater. Res. Soc. Symp. Proc. 678, 151 (2001). [pdf] [homepage]

  244. I.-K. Jeong, J. Thompson, A. M. P. Turner and S. J. L. Billinge, PDFgetX: a program for determining the atomic pair distribution function from X-ray powder diffraction data, J. Appl. Crystallogr. 34, 536 (2001). [pdf] [homepage]

  245. P. F. Peterson, Th. Proffen, I.-K. Jeong, S. J. L. Billinge, K.-S. Choi, M. G. Kanatzidis and P. G. Radaelli, Local atomic strain in ZnSe1-xTex from high real space resolution neutron pair distribution function measurements, Phys. Rev. B 63, 165211 (2001). [pdf] [homepage]

  246. V. Petkov and S. J. L. Billinge, Local structure of random InxGa1-xAs alloys by full-profile fitting of atomic pair distribution functions, Physica B 305, 83 (2001). [pdf] [homepage]

  247. I.-K. Jeong, F. Mohiuddin-Jacobs, V. Petkov, S. J. L. Billinge and S. Kycia, Local structure study of InxGa1-xAs semiconductor alloys using high energy synchrotron X-ray diffraction, Phys. Rev. B 63, 205202 (2001). [pdf] [homepage]

  248. S. J. L. Billinge, V. Petkov and Th. Proffen, Structure on different length scales from powder diffraction: the real-space pair distribution function (PDF) technique, Commission on Powder Diffraction of the International Union of Crystallography Newsletter number 24 , (2000). [pdf]

  249. V. Petkov, S. J. L. Billinge, J. Heising and M. G. Kanatzidis, Application of atomic pair distribution function analysis to materials with intrinsic disorder. Three-dimensional structure of exfoliated-restacked WS2: not just a random turbostratic assembly of layers, J. Am. Chem. Soc. 122, 11571 (2000). [pdf] [homepage]

  250. V. Petkov, S. J. L. Billinge, S. D. Shastri and B. Himmel, Polyhedral units and network connectivity in calcium aluminosilicate glasses from high energy X-ray diffraction, Phys. Rev. Lett. 85, 3436 (2000). [pdf] [homepage]

  251. V. Petkov, S. J. L. Billinge, S. D. Shastri and B. Himmel, High-resolution atomic distribution functions of disordered materials by high-energy X-ray diffraction, J. Non-Crystalline Solids 293-295, 726 (2000). [pdf] [homepage]

  252. S. J. L. Billinge, E. S. Bozin, M. Gutmann and H. Takagi, Microscopic charge inhomogeneities in underdoped La2-xSrxCuO4: local structural evidence, J. Supercond. 13, 713 (2000). [pdf] [homepage]

  253. P. F. Peterson, M Gutmann, Th. Proffen and S. J. L. Billinge, PDFgetN: a user-friendly program to extract the total scattering structure function and the pair distribution function from neutron powder diffraction data, J. Appl. Crystallogr. 33, 1192-1192 (2000). [pdf] [homepage]

  254. V. Petkov, S. J. L. Billinge, J. Heising, M. G. Kanatzidis, S. D. Shastri and S. Kycia, High real-space resolution structure of materials by high-energy X-ray diffraction, Mater. Res. Soc. Symp. Proc. 590, 151 (2000). [pdf] [homepage]

  255. S. J. L. Billinge, M. Gutmann and E. S. Bozin, Local structure as a probe of stripes and its relation to T*, Physica C 341-348, 1795 (2000). [pdf] [homepage]

  256. E. S. Bozin, S. J. L. Billinge, G. H. Kwei and H. Takagi, Local structural evidence for inhomogeneous charge distribution in CuO2 planes of superconducting La2-xSrxCuO4, Physica C 341-348, 1793 (2000). [pdf] [homepage]

  257. M. Gutmann, S. J. L. Billinge, E. Brosha and G. H. Kwei, Local structural evidence for charge inhomogeneities in the CuO2 planes of YBa2Cu3O6+x (x=0.25 0.45 0.65 0.94), Physica C 341-348, 2143 (2000). [pdf] [homepage]

  258. M. Wachhold, K. Kasthuri Rangan, S. J. L. Billinge, V. Petkov, J. Heising and M. G. Kanatzidis, Mesostructured non-oxidic solids with adjustable worm-hole shaped pores: M-Ge-Q (Q=S Se) frameworks based on tetrahedral [Ge4Q10]4- clusters, Advanced Mater. 12, 85 (2000). [pdf] [homepage]

  259. M. Wachhold, K. K. Rangan, M. Lei, M. F. Thorpe, S. J. L. Billinge, V. Petkov, J. Heising and M. G. Kanatzidis, Mesostructured metal germanium sulphide and selenide materials based on the tetrahedral [Ge4S10]4- and [Ge4Se10]4- units: Surfactant templated three-dimensional disordered frameworks perforated with worm-holes, J. Solid State Chem. 152, 21 (2000). [pdf] [homepage]

  260. S. J. L. Billinge, R. G. DiFrancesco, M. F. Hundley, J. D. Thompson and G. H. Kwei, Competition between charge localization and delocalization in La0.5Ca0.5MnO3, Phys. Rev. Lett. , Unpublished (2000). [pdf]

  261. V. Petkov, I-K. Jeong, F. Mohiuddin-Jacobs, Th. Proffen and S. J. L. Billinge, Local structure of In0.5Ga0.5As from joint high-resolution and differential pair distribution function analysis, J. Appl. Phys. 88, 665 (2000). [pdf] [homepage]

  262. M. Gutmann, S. J. L. Billinge, E. L. Brosha and G. H. Kwei, Possible charge inhomogeneities in the CuO2 planes of YBa2Cu3O6+x (x=0.25 0.45 0.65 0.94) from pulsed neutron diffraction, Phys. Rev. B 61, 11762 (2000). [pdf] [homepage]

  263. S. J. L. Billinge, Th. Proffen, V. Petkov, J. L. Sarrao and S. Kycia, Evidence for charge localization in the ferromagnetic phase of La1-xCaxMnO3 from high real-space-resolution X-ray diffraction, Phys. Rev. B 62, 1203 (2000). [pdf] [homepage]

  264. E. S. Bozin, S. J. L. Billinge, H. Takagi and G. H. Kwei, Neutron diffraction evidence of microscopic charge inhomogeneities in the CuO2 plane of superconducting La2-xSrxCu4 ( 0<= x<= 0.30), Phys. Rev. Lett. 84, 5856-5859 (2000). [pdf] [homepage]

  265. S. J. L. Billinge, V. Petkov, Th. Proffen, G. H. Kwei, J. L. Sarrao, S. D. Shastri and S. Kycia, Charge inhomogeneities in the colossal magnetoresistant manganites from the local atomic structure, Mater. Res. Soc. Symp. Proc. 602, 177 (1999). [pdf] [homepage]

  266. J. F. Bardeau, A. S. Eberhardt, B. Scott, S. J. L. Billinge, S. Kycia, T. Egami and B. I. Swanson, Recent structural studies of PtI, Synthetic Metals 103, 2596 (1999). [pdf] [homepage]

  267. V. Petkov, R. G. DiFrancesco, S. J. L. Billinge, M. Acharya and H. C. Foley, Local structure of nanoporous carbons, Philos. Mag. B 79, 1519 (1999). [pdf] [homepage]

  268. M. Acharya, M. S. Strano, J. P. Matthews, S. J. L. Billinge, V. Petkov, S. Subramoney and H. C. Foley, Simulation of nanoporous carbons: a chemically constrained structure, Philos. Mag. B 79, 1499 (1999). [pdf] [homepage]

  269. Thomas R. Pauly, Yu Liu, Thomas J. Pinnavaia, Simon J. L. Billinge and Thomas P. Rieker, Textural mesoporosity and the catalytic activity of mesoporous molecular sieves with wormhole framework structures, J. Am. Chem. Soc. 38, 8835 (1999). [pdf] [homepage]

  270. K. Kasthuri Rangan, Simon J. L. Billinge, Valeri Petkov, Joy Heising and Mercouri G. Kanatzidis, Aqueous Mediated Synthesis of Mesostructured Manganese Germanium Sulfide with Hexagonal Order, Chem. Mater 11, 2629 (1999). [pdf] [homepage]

  271. Th. Proffen, R. G. DiFrancesco, S. J. L. Billinge, E. L. Brosha and G. H. Kwei, Measurement of the local Jahn-Teller distortion in LaMnO3.006, Phys. Rev. B 60, 9973 (1999). [pdf] [homepage]

  272. E. S. Bozin, S. J. L. Billinge, G. H. Kwei and H. Takagi, Charge-stripe ordering from local octahedral tilts: underdoped and superconducting La2-xSrxCuO4 ( 0<=q x<=q 0.3), Phys. Rev. B 59, 4445 (1999). [pdf] [homepage]

  273. I.-K. Jeong, Th. Proffen, F. Mohiuddin-Jacobs and S. J. L. Billinge, Measuring correlated atomic motion using X-ray diffraction, J. Phys. Chem. A 103, 921-924 (1999). [pdf] [homepage]

  274. Th. Proffen and S. J. L. Billinge, PDFFIT a program for full profile structural refinement of the atomic pair distribution function, J. Appl. Crystallogr. 32, 572-575 (1999). [pdf] [homepage]

  275. V. Petkov, I.-K. Jeong, J. S. Chung, M. F. Thorpe, S. Kycia and S. J. L. Billinge, High real-space resolution measurement of the local structure of Ga1-xInxAs using X-ray diffraction, Phys. Rev. Lett. 83, 4089-4092 (1999). [pdf] [homepage]

  276. S. J. L. Billinge, Polarons in manganites: now you see them now you don't, In Physics of Manganites, (Klewer Academic/Plenum, New York, 1999), T. A. Kaplan and S. D. Mahanti, Eds., pp. 201. [homepage]

  277. K. S. Choi, R. Patschke, S. J. L. Billinge, M. J. Waner, M. Dantus and M. G. Kanatzidis, Charge density wave caused by reducing ThSe3 by on electron. Superstructure and short-range order in ATh2Se6 (A=K Rb) studied by X-ray diffraction electron diffraction and diffuse scattering, J. Am. Chem. Soc. 120, 10706 (1998). [pdf] [homepage]

  278. A.P. Wilkinson, J. Xu, S. Pattanaik and S. J. L. Billinge, Neutron scattering studies of compositional heterogeneity in sol-gel processed PZT (PbZr0.5Ti0.5)O3, Chem. Mater. 10, 3611 (1998). [pdf] [homepage]

  279. S. J. L. Billinge and M. F. Thorpe, Editor, Local structure from diffraction, Plenum, New York, 1998.

  280. S. J. L. Billinge, Real-space Rietveld: full profile structure refinement of the atomic pair distribution function, In Local Structure from Diffraction, (Plenum, New York, 1998), S. J. L. Billinge and M. F. Thorpe, Eds., pp. 137. [pdf]

  281. M. F. Thorpe, J. S. Chung, S. J. L. Billinge and F. Mohiuddin-Jacobs , Advances in pair distribution profile fitting in alloys, In Local Structure from Diffraction, (Plenum, New York, 1998), S. J. L. Billinge and M. F. Thorpe, Eds., pp. 157. [pdf] [homepage]

  282. G. H. Kwei, D. Louca, S. J. L.Billinge and H. D. Rosenfeld, Recent ``Local'' structural studies: Metallic Alloys Superconductors and Proteins, In Local Structure from Diffraction, (Plenum, New York, 1998), S. J. L. Billinge and M. F. Thorpe, Eds., pp. 323.

  283. R. G. DiFrancesco, S. J. L. Billinge, G. H. Kwei, J. J. Neumeier and J. D. Thompson, Local structure and polaron formation in La1-xCaxMnO3, Physica B 241-243, 421 (1998). [pdf] [homepage]

  284. E. S. Bozin, S. J. L. Billinge and G. H. Kwei, Reexamination of the second order structural phase transition in La2-xAxCuO4 (A=BaSr), Physica B 241-243, 795 (1998). [pdf] [homepage]

  285. E. S. Bozin and S. J. L. Billinge, Understanding the role of the local structure in the second order structural phase transition of La2-xAxCuO4 (A=BaSr), Solid State Phenomena 61-62, 271 (1998). [pdf] [homepage]

  286. G. H. Kwei, D. N. Argyriou, S. J. L. Billinge, A. C. Lawson, J. J. Neumeier, A. P. Ramirez, M. A. Subramanian and J. D. Thompson, Lattice effects in perovskite and pyrochlore CMR materials, Mat. Res. Soc. Symp. Proc. 475, 533 (1997). [pdf] [homepage]

  287. T. Egami, S. J. L. Billinge, S. Kycia, W. Dmowski and A. S. Eberhardt, Information stored in high Q-space: role of high energy scattering, AIP Conf. Series 417, 209 (1997). [pdf] [homepage]

  288. S. J. L. Billinge, Electronic Oxides: Properties and applications, CFMR , Web Proceedings of the 11th Annual CFMR symposium published in conjunction with the Virtual University at Michigan State University (1997).

  289. S. J. L. Billinge, The structure of real materials using X-ray and neutron scattering, Current Opinion in Solid State and Mater. Sci. 1, 477 (1996). [pdf] [homepage]

  290. M. S. Kane, J. F. Goellner, H. C. Foley, R. G. DiFrancesco, S. J. L. Billinge and L. F. Allard, Symmetry breaking in nanostructure development of carbogenic molecular sieves: effects of morphological pattern formation on oxygen and nitrogen transport, Chem. Mater. 8, 2159 (1996). [pdf] [homepage]

  291. S. J. L. Billinge, R. G. DiFrancesco, G. H. Kwei, J. J. Neumeier and J. D. Thompson, Direct observation of lattice polaron formation in the local structure of La1-xCaxMnO3, Phys. Rev. Lett. 77, 715-718 (1996). [pdf] [homepage]

  292. T. Egami and S. J. L. Billinge, Lattice Effects in high-Tc superconductors, In Physical properties of high-temperature superconductors V, (World--Scientific, Singapore, 1996), D. M. Ginsberg, Eds., pp. 265-373.

  293. S. J. L. Billinge and G. H. Kwei, Probing the short-range order and dynamics of phase transition using neutron powder diffraction, J. Phys. Chem. Solids 57, 1457 (1996). [pdf] [homepage]

  294. G. H. Kwei, S. J. L. Billinge, S.-W. Cheong and J. G. Saxton, Pair-distribution functions of ferroelectric perovskites: direct observation of structural gound-states , Ferroelectrics 164, 57 (1995). [pdf] [homepage]

  295. S. J. L. Billinge and G. H. Kwei, Determination of the Local Atomic Structure of La2-x(SrBa)xCuO4 Materials From Neutron Powder Diffraction Data, Mater. Res. Soc. Proc. 376, 523 (1995).

  296. S. J. L. Billinge, G. H. Kwei and J. D. Thompson, Experimental evidence for lattice effects in high temperature superconductors, In Strongly Correlated Electronic Materials, (Addison Wesley, New York, 1994), K. Bedell, Eds., pp. .

  297. S. J. L. Billinge, G. H. Kwei and H. Takagi, Structural ground-state of La2CuO4 in the LTO phase: evidence of local disorder, Physica C 235-240, 1281 (1994). [pdf] [homepage]

  298. S. J. L. Billinge, G. H. Kwei and H. Takagi, Local Structure and Superconductivity in La2-x(SrBa)xCuO4 for x = 0.125 and x = 0.15, Physica B 199-200, 244 (1994). [pdf]

  299. S. J. L. Billinge, G. H. Kwei and H. Takagi , Local octahedral tilts in La2-xBaxCuO4: evidence for a new structural length scale, Phys. Rev. Lett. 72, 2282 (1994). [pdf] [homepage]

  300. T. Egami and S. J. L. Billinge, Lattice effects in high-temperature superconductors, Prog. Mater. Sci. 38, 359 (1994). [pdf] [homepage]

  301. G. H. Kwei, A. C. Lawson, S. J. L. Billinge and S.-W. Cheong, Structures of the ferroelectric phases of barium titanate, J. Phys. Chem. 97, 2368 (1993). [pdf] [homepage]

  302. T. Egami and S. J. L. Billinge, Local lattice distortion and mechanism of superconductivity, In Advances in Superconductivity, (Springer Verlag, Tokyo, 1993), Y. Bando and H. Yamauchi, Eds., pp. . [homepage]

  303. S. J. L. Billinge and T. Egami, Short-range atomic structure of Nd2-xCexCuO4-y determined by real-space refinement of neutron-powder-diffraction data, Phys. Rev. B 47, 14386 (1993). [pdf] [homepage]

  304. S. J. L. Billinge, G. H. Kwei, A. C. Lawson, J. D. Thompson and H. Takagi, Superconductivity and the low-temperature orthorhombic to tetragonal phase transition in La2-xBaxCuO4, Phys. Rev. Lett. 71, 1903 (1993). [pdf] [homepage]

  305. S. J. L. Billinge, Local atomic structure and superconducivity of Nd2-xCexCuO4-y: a pair distribution function study, Ph.D Thesis (1992).

  306. T. Egami, B. H. Toby, S. J. L. Billinge, Chr. Janot, J. D. Jorgensen, D. G. Hinks, M. K. Crawford, W. E. Farneth and E. M. McCarron, Local Structural anomaly at Tc observed by neutron scattering, In High Temperature Superconductivity: Physical Properties Microscopic Theory and Mechanisms, (Plenum, New York, 1992), J. Ashkenazi and others, Eds., pp. .

  307. S. J. L. Billinge and T. Egami, Local structural changes in high-Tc oxides associated with superconductivity, In Lattice Effects in High Tc Superconductors, (World Scientific, Singapore, 1992), Y. Bar-Yam and T. Egami and J. Mustre-de Leon and A. R. Bishop, Eds., pp. 93.

  308. S. J. L. Billinge, P. K. Davies, T. Egami and C. R. A. Catlow, Deviations from planarity of copper-oxygen sheet in Ca0.85Sr0.15CuO2 , Phys. Rev. B 43, 10340 (1991). [pdf] [homepage]

  309. S. J. L. Billinge, T. Egami, D. R. Richards, D. G. Hinks, B. Dabrowski, J. D. Jorgensen and K. J. Volin, Local structural change close to Tc in Nd1.835Ce0.165CuO4 , Physica C 179, 279 (1991). [pdf] [homepage]

  310. T. Egami, B. H. Toby, S. J. L. Billinge, H. D. Rosenfeld, J. D. Jorgensen, D. G. Hinks, B. Dabrowski, M. A. Subramanian, M. K. Crawford, W. E. Farneth and D. M. McCarron, Local structural anomaly near Tc observed by pulsed neutron scattering, Physica C 185-189, 867 (1991). [pdf] [homepage]

  311. S. J. L. Billinge, P. K. Davies, T. Egami and C. R. A. Catlow, Out of phase displacements of oxygen from the CuO2 sheets in Ca0.85Sr0.15CuO2 by atom-pair distribution function analysis, In Chemistry of Electronic Ceramic Materials, (NIST, Gaithersburg, 1991), Y. Bar-Yam and T. Egami and J. Mustre-de Leon and A. R. Bishop, Eds., pp. .

  312. T. Egami, B. H. Toby, W. Dmowski, S. J. L. Billinge, P. K. Davies, J. D. Jorgensen, M. A. Subramanian and A. W. Sleight, Symmetry breaking oxygen displacements in superconducting oxides, Physica C 162-164, 93 (1989). [pdf] [homepage]


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