Search Results - "Billinge, S J L"

Dual Orbital Degeneracy Lifting in a Strongly Correlated Electron System by Koch, R J, Sinclair, R, McDonnell, M T, Yu, R, Abeykoon, M, Tucker, M G, Tsvelik, A M, Billinge, S J L, Zhou, H D, Yin, W-G, Bozin, E S

“…The local structure of NaTiSi_{2}O_{6} is examined across its Ti-dimerization orbital-assisted Peierls transition at 210 K. An atomic pair distribution…”
Get full text

Local Sn Dipolar-Character Displacements behind the Low Thermal Conductivity in SnSe Thermoelectric by Bozin, E S, Xie, H, Abeykoon, A M M, Everett, S M, Tucker, M G, Kanatzidis, M G, Billinge, S J L

“…The local atomic structure of SnSe was characterized across its orthorhombic-to-orthorhombic structural phase transition using x-ray pair distribution function…”
Get full text

PDFgetX3: a rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions by Juhás, P., Davis, T., Farrow, C. L., Billinge, S. J. L.

“…PDFgetX3 is a new software application for converting X‐ray powder diffraction data to an atomic pair distribution function (PDF). PDFgetX3 has been designed…”
Get full text

Signatures of the topological s +− superconducting order parameter in the type-II Weyl semimetal T d-MoTe2 by Guguchia, Z., von Rohr, F., Shermadini, Z., Lee, A. T., Banerjee, S., Wieteska, A. R., Marianetti, C. A., Frandsen, B. A., Luetkens, H., Gong, Z., Cheung, S. C., Baines, C., Shengelaya, A., Taniashvili, G., Pasupathy, A. N., Morenzoni, E., Billinge, S. J. L., Amato, A., Cava, R. J., Khasanov, R., Uemura, Y. J.

“…Abstract In its orthorhombic T d polymorph, MoTe 2 is a type-II Weyl semimetal, where the Weyl fermions emerge at the boundary between electron and hole…”
Get full text

Local orbital degeneracy lifting as a precursor to an orbital-selective Peierls transition by Bozin, E. S., Yin, W. G., Koch, R. J., Abeykoon, M., Hor, Y. S., Zheng, H., Lei, H. C., Petrovic, C., Mitchell, J. F., Billinge, S. J. L.

“…Fundamental electronic principles underlying all transition metal compounds are the symmetry and filling of the d -electron orbitals and the influence of this…”
Get full text

Local off-centering symmetry breaking in the high-temperature regime of SnTe by Knox, K. R., Bozin, E. S., Malliakas, C. D., Kanatzidis, M. G., Billinge, S. J. L.

“…The local structure of SnTe has been studied using atomic pair distribution function analysis of x-ray and neutron data. Evidence is found for a locally…”
Get full text

Magnetism in semiconducting molybdenum dichalcogenides by Guguchia, Z, Kerelsky, A, Edelberg, D, Banerjee, S, von Rohr, F, Scullion, D, Augustin, M, Scully, M, Rhodes, D A, Shermadini, Z, Luetkens, H, Shengelaya, A, Baines, C, Morenzoni, E, Amato, A, Hone, J C, Khasanov, R, Billinge, S J L, Santos, E, Pasupathy, A N, Uemura, Y J

“…Transition metal dichalcogenides (TMDs) are interesting for understanding the fundamental physics of two-dimensional (2D) materials as well as for applications…”
Get full text

Ab initio determination of solid-state nanostructure by Billinge, S. J. L, Juhás, P, Punch, W. F, Duxbury, P. M, Cherba, D. M

“…Advances in materials science and molecular biology followed rapidly from the ability to characterize atomic structure using single crystals. Structure…”
Get full text

PDFFIT, a program for full profile structural refinement of the atomic pair distribution function by Proffen, Th, Billinge, S. J. L.

“…The program PDFFIT is designed for the full profile structural refinement of the atomic pair distribution function (PDF). In contrast to conventional structure…”
Get full text

Author Correction: Signatures of the topological s+− superconducting order parameter in the type-II Weyl semimetal T d -MoTe2 by Guguchia, Z., von Rohr, F., Shermadini, Z., Lee, A. T., Banerjee, S., Wieteska, A. R., Marianetti, C. A., Frandsen, B. A., Luetkens, H., Gong, Z., Cheung, S. C., Baines, C., Shengelaya, A., Taniashvili, G., Pasupathy, A. N., Morenzoni, E., Billinge, S. J. L., Amato, A., Cava, R. J., Khasanov, R., Uemura, Y. J.

“…The original version of this article omitted the following from the Acknowledgements: “CAM and AL were supported by the NSF MRSEC program through Columbia in…”
Get full text

SrRietveld: a program for automating Rietveld refinements for high-throughput powder diffraction studies by Tian, P., Zhou, W., Liu, J., Shang, Y., Farrow, C. L., Juhás, P., Billinge, S. J. L.

“…SrRietveld is a highly automated software toolkit for Rietveld refinement. Compared to traditional refinement programs, it is more efficient to use and easier…”
Get full text

Local vibrations and negative thermal expansion in ZrW2O8 by Bridges, F, Keiber, T, Juhas, P, Billinge, S J L, Sutton, L, Wilde, J, Kowach, Glen R

“…We present an x-ray pair distribution function (XPDF) analysis and extended x-ray absorption fine structure (EXAFS) data for ZrW2O8 (10-500 K) with a focus on…”
Get full text

Structure of intercalated Cs in zeolite ITQ-4: an array of metal ions and correlated electrons confined in a pseudo-1D nanoporous host by Petkov, V, Billinge, S J L, Vogt, T, Ichimura, A S, Dye, J L

“…The presence of Cs+ ions in the pseudo-1D nanopores of zeolite ITQ-4, Si32O64, is confirmed by x-ray diffraction and atomic pair distribution function…”
Get full text

Quantitative size-dependent structure and strain determination of CdSe nanoparticles using atomic pair distribution function analysis by Masadeh, A. S., Božin, E. S., Farrow, C. L., Paglia, G., Juhas, P., Billinge, S. J. L., Karkamkar, A., Kanatzidis, M. G.

“…The size-dependent structure of CdSe nanoparticles, with diameters ranging from 2 to 4 nm, has been studied using the atomic pair distribution function (PDF)…”
Get full text

Orbital correlations in the pseudocubic O and rhombohedral R phases of LaMnO3 by XIANGYUN QIU, PROFFEN, Th, MITCHELL, J. F, BILLINGE, S. J. L

“…The local and intermediate structure of stoichiometric LaMnO3 has been studied in the pseudocubic and rhombohedral phases at high temperatures (300-1150 K)…”
Get full text

On the estimation of statistical uncertainties on powder diffraction and small-angle scattering data from two-dimensional X-ray detectors by Yang, X., Juhás, P., Billinge, S. J. L.

“…Optimal methods are explored for obtaining one‐dimensional powder pattern intensities from two‐dimensional planar detectors with good estimates of their…”
Get full text

Algorithm for systematic peak extraction from atomic pair distribution functions by Granlund, L., Billinge, S. J. L., Duxbury, P. M.

“…The study presents an algorithm, ParSCAPE, for model‐independent extraction of peak positions and intensities from atomic pair distribution functions (PDFs)…”
Get full text

Detailed mapping of the local Ir4+ dimers through the metal-insulator transitions of CuIr2S4 thiospinel by X-ray atomic pair distribution function measurements by Božin, E S, Masadeh, A S, Hor, Y S, Mitchell, J F, Billinge, S J L

“…The evolution of the short-range structural signature of the Ir4+ dimer state in CuIr2S4 thiospinel has been studied across the metal-insulator phase…”
Get full text

PDFgetN: a user-friendly program to extract the total scattering structure factor and the pair distribution function from neutron powder diffraction data by Peterson, P. F., Gutmann, M., Proffen, Th, Billinge, S. J. L.

Get full text

Understanding the insulating phase in colossal magnetoresistance manganites: shortening of the Jahn-Teller long-bond across the phase diagram of La1-xCaxMnO3 by Bozin, E S, Schmidt, M, Deconinck, A J, Paglia, G, Mitchell, J F, Chatterji, T, Radaelli, P G, Proffen, Th, Billinge, S J L

“…The detailed evolution of the magnitude of the local Jahn-Teller (JT) distortion in La(1-x)Ca(x)MnO3 is obtained across the phase diagram for 0< or =x< or =0.5…”
Get full text