User menu

Lattice dynamics and specific heat of alpha-GeTe: Theoretical and experimental study

Bibliographic reference Shaltaf, R. ; Gonze, Xavier ; Cardona, M. ; Kremer, René ; Siegle, G.. Lattice dynamics and specific heat of alpha-GeTe: Theoretical and experimental study. In: Physical review. B, Condensed matter and materials physics, Vol. 79, no. 7, p. 075204 : 1-7 (2009)
Permanent URL
  1. Rabe K. M., Joannopoulos J. D., Abinitiodetermination of a structural phase transition temperature, 10.1103/physrevlett.59.570
  2. Rabe K. M., Joannopoulos J. D., Theory of the structural phase transition of GeTe, 10.1103/physrevb.36.6631
  3. Goldak J., Barrett C. S., Innes D., Youdelis W., Structure of Alpha GeTe, 10.1063/1.1727231
  4. Bevolo A. J., Shanks H. R., Eckels D. E., Molar heat capacity of GeTe, SnTe, and PbTe from 0.9 to 60 K, 10.1103/physrevb.13.3523
  5. Hein R. A., Gibson J. W., Mazelsky R., Miller R. C., Hulm J. K., Superconductivity in Germanium Telluride, 10.1103/physrevlett.12.320
  6. Finegold Leonard, Germanium Telluride: Specific Heat and Superconductivity, 10.1103/physrevlett.13.233
  7. Cardona M., Kremer R. K., Lauck R., Siegle G., Serrano J., Romero A. H., Heat capacity of PbS: Isotope effects, 10.1103/physrevb.76.075211
  8. Romero A. H., Cardona M., Kremer R. K., Lauck R., Siegle G., Serrano J., Gonze X. C., Lattice properties ofPbX(X=S,Se,Te): Experimental studies andab initiocalculations including spin-orbit effects, 10.1103/physrevb.78.224302
  9. K. C. Mills, Thermodynamic Data for Inorganic Sulphides, Selenides and Tellurides (1974)
  10. Gonze X., Beuken J.-M., Caracas R., Detraux F., Fuchs M., Rignanese G.-M., Sindic L., Verstraete M., Zerah G., Jollet F., Torrent M., Roy A., Mikami M., Ghosez Ph., Raty J.-Y., Allan D.C., First-principles computation of material properties: the ABINIT software project, 10.1016/s0927-0256(02)00325-7
  11. Gonze Xavier, A brief introduction to the ABINIT software package, 10.1524/zkri.220.5.558.65066
  12. Baroni Stefano, de Gironcoli Stefano, Dal Corso Andrea, Giannozzi Paolo, Phonons and related crystal properties from density-functional perturbation theory, 10.1103/revmodphys.73.515
  13. Gonze Xavier, First-principles responses of solids to atomic displacements and homogeneous electric fields: Implementation of a conjugate-gradient algorithm, 10.1103/physrevb.55.10337
  14. Gonze Xavier, Lee Changyol, Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory, 10.1103/physrevb.55.10355
  15. Hartwigsen C., Goedecker S., Hutter J., Relativistic separable dual-space Gaussian pseudopotentials from H to Rn, 10.1103/physrevb.58.3641
  16. Goedecker S., Teter M., Hutter J., Separable dual-space Gaussian pseudopotentials, 10.1103/physrevb.54.1703
  17. Monkhorst Hendrik J., Pack James D., Special points for Brillouin-zone integrations, 10.1103/physrevb.13.5188
  18. Methfessel M., Paxton A. T., High-precision sampling for Brillouin-zone integration in metals, 10.1103/physrevb.40.3616
  19. Ciucivara Adrian, Sahu B. R., Kleinman Leonard, Density functional study of the effect of pressure on the ferroelectricGeTe, 10.1103/physrevb.73.214105
  20. Onodera Akifumi, Sakamoto Ichiro, Fujii Yasuhiko, Mo⁁ri Nobuo, Sugai Shunji, Structural and electrical properties of GeSe and GeTe at high pressure, 10.1103/physrevb.56.7935
  21. Andrikopoulos K S, Yannopoulos S N, Voyiatzis G A, Kolobov A V, Ribes M, Tominaga J, Raman scattering study of the a-GeTe structure and possible mechanism for the amorphous to crystal transition, 10.1088/0953-8984/18/3/014
  22. Herman Frank, Skillman Sherwood, Arents John, Atomic Structure Calculations, 10.1149/1.2426131
  23. Shaltaf R., Durgun E., Raty J.-Y., Ghosez Ph., Gonze X., Dynamical, dielectric, and elastic properties of GeTe investigated with first-principles density functional theory, 10.1103/physrevb.78.205203
  24. Díaz-Sánchez L. E., Romero A. H., Cardona M., Kremer R. K., Gonze X., Effect of the Spin-Orbit Interaction on the Thermodynamic Properties of Crystals: Specific Heat of Bismuth, 10.1103/physrevlett.99.165504
  25. Serrano J., Kremer R. K., Cardona M., Siegle G., Díaz-Sánchez L. E., Romero A. H., Specific heat of Sb: Isotopic and spin-orbit effects from measurements andab initiocalculations, 10.1103/physrevb.77.054303
  26. Oguchi T., Electronic structure of B-doped diamond: A first-principles study, 10.1016/j.stam.2006.03.008
  27. Hoesch M., Fukuda T., Mizuki J., Takenouchi T., Kawarada H., Sutter J. P., Tsutsui S., Baron A. Q. R., Nagao M., Takano Y., Phonon softening in superconducting diamond, 10.1103/physrevb.75.140508
  28. Kobayashi Kazuaki, Arai Masao, Yamamoto Kazuo, First-principles study of C6B2and related compounds, 10.1016/j.stam.2006.03.009
  29. Pintschovius L., Vergés J. A., Cardona M., Self-energies of phonons in heavily dopedn- andp-type silicon, 10.1103/physrevb.26.5658
  30. Cerdeira Fernando, Fjeldly T. A., Cardona M., Effect of Free Carriers on Zone-Center Vibrational Modes in Heavily Dopedp-type Si. II. Optical Modes, 10.1103/physrevb.8.4734
  31. Recoules V., Clérouin J., Zérah G., Anglade P. M., Mazevet S., Effect of Intense Laser Irradiation on the Lattice Stability of Semiconductors and Metals, 10.1103/physrevlett.96.055503
  32. E. Schönherr, Crystals—Growth, Properties, and Applications (1980)
  33. L. Van der Pauw, Philips Res. Rep., 13, 1 (1958)
  34. N. W. Ashcroft, Solid State Physics (1976)
  35. I. A. Drabkin, Inorg. Mater., 15, 936 (1979)
  36. Lewis J. E., Optical properties and energy gap of GeTe from reflectance studies, 10.1002/pssb.2220590138
  37. Steigmeier E.F, Harbeke G, Soft phonon mode and ferroelectricity in GeTe, 10.1016/0038-1098(70)90619-8
  38. V. M. Zhdanov, Russ. J. Phys. Chem., 45, 1357 (1971)
  39. Kremer R. K., Cardona M., Schmitt E., Blumm J., Estreicher S. K., Sanati M., Bockowski M., Grzegory I., Suski T., Jezowski A., Heat capacity ofα−GaN: Isotope effects, 10.1103/physrevb.72.075209
  40. Wiedemeier H., Siemers P. A., The Thermal Expansion of GeS and GeTe, 10.1002/zaac.19774310134