NIRT Publications

  1. 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]

  2. 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).

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

  4. A. Sartbaeva, S. A. Wells, M. F. Thorpe, E. S. Bozin and S. J. L. Billinge, Geometric refinement of the orbital order disorder transition in the cubic manganites, Phys. Rev. Lett. 99, 155503 (2007). [pdf]

  5. 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]

  6. 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]

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

  8. 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]

  9. 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]

  10. 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]

  11. 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]

  12. 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]

  13. 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]

  14. A. Sartbaeva, S. A. Wells, Adrian Huerta and M. F. Thorpe, Local structural variability and the intermediate phase window in network glasses, Phys. Rev. B 75, 224204 (2007). [pdf]

  15. 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]

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

  17. A. Sartbaeva, S. A. Wells, M. F. Thorpe, E. S. Bozin and S. J. L. Billinge, Geometric modeling of perovskite frameworks with Jahn-Teller distortions: application to the cubic manganites, Phys. Rev. Lett. 97, 065501 (2006). [pdf]

  18. 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]

  19. 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]

  20. 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]

  21. A. Sartbaeva, S. A. Wells, M. M. J. Treacy and M. F. Thorpe, The flexibility window in zeolites, Nat. Mater. 5, 962 - 965 (2006). [pdf]

  22. B. Yi, R. Rajagopalan, U. J. Kim, X. Liu, P. Eklund and H. C. Foley, Catalyic polymerization and facile grafting of poly(furfuryl alcohol) to single wall nanotube: preparation of nanocomposite carbon, J. Am. Chem. Soc. 128, 11307-11313 (2006). [pdf]

  23. C. Burket, R. Rajagopalan, A. Marencic, K. Dronvajjala and H. C. Foley, Genesis of porosity in polyfurfuryl alcohol derived carbon, Carbon 44, 2957-2963 (2006). [pdf]

  24. M. Gateshki, V. Petkov, T. Hyeon, M. Niederberger and Y. Ren, Interplay between the local structural disorder and the length of structural coherence in stabilizing the cubic phase in nanocrystalline ZrO2, Solid State Commun. 138, 279 (2006). [pdf]

  25. V. Petkov, M. Gateshki, M. Niederberger and Y. Ren, Atomic-scale structure of nanocrystalline BaxSr1-xTiO3 (x=10.50) by x-ray diffraction and the atomic pair distribution function technique, Chem. Mater. 18, 814 (2006). [pdf]

  26. 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]

  27. 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]

  28. 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]

  29. 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]

  30. 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]

  31. P. Boolchand, G. Lucovsky, J. C. Phillips and M. F. Thorpe, Self-organization and the physics of glassy networks, Philos. Mag. 35, 3823 - 3838 (2005). [pdf]

  32. V. Petkov, M. Gateshki, J. Choi, E. G. Gillan and Y. Ren, Structure of nanocrystalline GaN from x-ray diffraction Rietveld and atomic pair distribution function analyses, J. Mater. Chem. 15, 4654 (2005). [pdf]

  33. Toni Spassov, Valeri Petkov and P. Solsona, Hydriding/dehydriding of Mg87Ni3Al3Mm7 (Mm=La Ce-rich mischmetal) alloy produced by mechanical alloying, J. Alloys and Compounds 363, 403 (2005). [pdf]

  34. V. Petkov, Y. Peng, G. Williams, B. Huang, D. Tomalia and Y. Ren, Structure of gold nanoparticles in water by x-ray diffraction and computer simulations, Phys. Rev. B 72, 195402 (2005). [pdf]

  35. Valeri Petkov, Vencislav Parvanov, Pantelis Trikalitis, Christos Malliakas, Tom Vogt and Mercouri Kanatzidis, Three-dimensional structure of nanocomposites from atomic pair distribution function analysis: study of polyaniline and (polyaniline)xV2O5.nH2O, J. Am. Chem. Soc. 127, 8805 (2005). [pdf]

  36. Jin Luo, Matthew M. Mayre, Valeri Petkov, Nancy N. Kariuki, Lingyan Wang, Peter Njoki, Derrick Mott, Yan Lin and Chuan-Jian Zhong, Phase properties of carbon-supported AuPt nanoparticles with different bimetallic compositions, Chem. Mater. 17, 3086 (2005). [pdf]

  37. M. V. Chubynsky and M.F. Thorpe, Mean-field conductivity in a certain class of networks , Phys. Rev. E 71, 056105 (2005). [pdf]

  38. V. Petkov, V. Parvanov, D. Tomalia, D. Swanson, D. Bergstrom and T. Vogt, 3D structure of dendritic and hyper-branched macromolecules by x-ray diffraction, Solid State Commun. 134, 671 (2005). [pdf]

  39. W. Yao, S. W. Martin and V. Petkov, Structure determination of low-alkali-content Na2S + B2S3 glasses using neutron and synchrotron x-ray diffraction, J. Non-Crystalline Solids 351, 1995-2002 (2005). [pdf]

  40. M. Gateshki, V. Petkov, G. Williams, S.K. Pradhan and Y. Ren, Atomic scale structure of nanocrystalline ZrO2, Phys. Rev. B 71, 224107 (2005). [pdf]

  41. V. Petkov, Atomic-scale structure of glasses using high-energy x-ray diffraction, J. Am. Ceram. Soc. 88, 2528-2531 (2005). [pdf]

  42. M. Gateshki, Valeri Petkov, Swapan K. Pradhanb and Tom Vogt, Structure of nanocrystalline MgFe2O4 from X-ray diffraction Rietveld and atomic pair distribution function analysis, J. Appl. Crystallogr. 38, 772-779 (2005). [pdf]

  43. 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]

  44. 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]

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

  46. 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]

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

  48. A. R. McGurn, A. R. Day, D. Bergman, L. C. Davis and M. F. Thorpe, Spectral densities of embedded interfaces in composite materials, Phys. Rev. B 70, 144205 (2004). [pdf]

  49. M. Gateshki, S.-J. Hwang, D.H. Park, Y. Ren and V. Petkov, Structure of exfoliated titanate nanosheets determined by atomic pair distribution function analysis, Chem. Mater. 16, 5153-5157 (2004). [pdf]

  50. M. Gateshki, S.-J. Hwang, D.H. Park, Y. Ren and V. Petkov, Structure of nanocrystalline alkali metal manganese oxides by the atomic pair distribution function technique, J. Phys. Chem. B 108, 14956-14963 (2004). [pdf]

  51. V. Petkov, P. Y. Zavalij, S. Lutta, M. S. Wittingham, V. Parvanov and S. Shastri, Structure beyond Bragg: Study of V2O5 nanotubes, Phys. Rev. B 69, 085410 (2004). [pdf]

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