User menu

SiO2 stishovite under high pressure: Dielectric and dynamical properties and the ferroelastic phase transition

Bibliographic reference Lee, CY. ; Gonze, Xavier. SiO2 stishovite under high pressure: Dielectric and dynamical properties and the ferroelastic phase transition. In: Physical Review. B, Condensed Matter, Vol. 56, no. 12, p. 7321-7330 (1997)
Permanent URL
  1. R. B. Sosman, The Phases of Silica (1965)
  2. Coes L., A New Dense Crystalline Silica, 10.1126/science.118.3057.131
  3. S. M. Stishov, Geochemistry, 10, 923 (1961)
  4. S. Akimoto, High-Pressure Research: Applications to Geophysics (1977)
  5. Teter D. M., Gibbs G. V., Boisen M. B., Allan D. C., Teter M. P., First-principles study of several hypothetical silica framework structures, 10.1103/physrevb.52.8064
  6. McComb D.W., Howie A., Valence loss spectra from SiO2 polymorphs of different density, 10.1016/0168-583x(95)00237-5
  7. Q. Williams, J. Geophys. Res., 98, 22 (1993)
  8. Lindsay G. M., Russell C. T., Luhmann J. G., Gazis P., On the sources of interplanetary shocks at 0.72 AU, 10.1029/93ja02666
  9. X. Gonze, Phys. Rev. B, 55, 10 (1997)
  10. Sugiyama Kazuhiko, Yoda Jun, Production ofYbH+by chemical reaction ofYb+in excited states withH2gas, 10.1103/physreva.55.r10
  11. Lee Changyol, Gonze Xavier, Lattice dynamics and dielectric properties ofSiO2stishovite, 10.1103/physrevlett.72.1686
  12. Tsuchida Yoshihiko, Yagi Takehiko, A new, post-stishovite highpressure polymorph of silica, 10.1038/340217a0
  13. R. J. Hemley, High-Pressure Research in Mineral Physics (1987)
  14. Kingma Kathleen J., Cohen Ronald E., Hemley Russell J., Mao Ho-kwang, Transformation of stishovite to a denser phase at lower-mantle pressures, 10.1038/374243a0
  15. C. Lee, J. Phys.: Condens. Matter, 7, 3693 (1995)
  16. L. V. Al’tshuler, Sov. Phys. Solid State, 15, 969 (1973)
  17. M. A. Podurets, Izv. Acad. Sci. USSR, Phys. Solid Earth, 26, 295 (1990)
  18. Taeck Park Key, Terakura Kiyoyuki, Matsui Yoshito, Theoretical evidence for a new ultra-high-pressure phase of SiO2, 10.1038/336670a0
  19. V. N. German, Sov. Phys. JETP, 37, 107 (1973)
  20. L. C. Ming, High-Pressure Research in Geophysics (1982)
  21. Liu Lin-Gun, Bassett William A., Sharry John, New high-pressure modifications of GeO2and SiO2, 10.1029/jb083ib05p02301
  22. L. Liu, High-Pressure Research in Geophysics
  23. M. E. Striefler, EOS Trans. Am. Geophys. Union, 66, 358 (1985)
  24. R. J. Hemley, EOS Trans. Am. Geophys. Union, 66, 358 (1985)
  25. Tsuneyuki Shinji, Matsui Yoshtto, Aoki Hideo, Tsukada Masaru, New pressure-induced structural transformations in silica obtained by computer simulation, 10.1038/339209a0
  26. D. M. Sherman, J. Geophys. Res., 98, 11 (1993)
  27. Lacks Daniel J., Gordon Roy G., Calculations of pressure-induced phase transitions in silica, 10.1029/93jb02448
  28. R. E. Cohen, High-Pressure Research: Application to Earth and Planetary Sciences (1992)
  29. Karki B. B., Warren M. C., Stixrude L., Ackland G. J., Crain J., Ab initio studies of high-pressure structural transformations in silica, 10.1103/physrevb.55.3465
  30. Hohenberg P., Kohn W., Inhomogeneous Electron Gas, 10.1103/physrev.136.b864
  31. Pickett Warren E., Pseudopotential methods in condensed matter applications, 10.1016/0167-7977(89)90002-6
  32. Giannozzi Paolo, de Gironcoli Stefano, Pavone Pasquale, Baroni Stefano, Ab initiocalculation of phonon dispersions in semiconductors, 10.1103/physrevb.43.7231
  33. Gonze Xavier, Allan Douglas C., Teter Michael P., Dielectric tensor, effective charges, and phonons in α-quartz by variational density-functional perturbation theory, 10.1103/physrevlett.68.3603
  34. X. Gonze, Phonon Scattering in Condensed Matter VII (1993)
  35. X. Gonze, Phys. Rev. B, 50, 13 (1994)
  36. C. Lee, Phys. Rev. B, 50, 13 (1994)
  37. Ueno Masaki, Yoshida Minoru, Onodera Akifumi, Shimomura Osamu, Takemura Kenichi, Stability of the wurtzite-type structure under high pressure: GaN and InN, 10.1103/physrevb.49.14
  38. Rignanese G.-M., Michenaud J.-P., Gonze X., Abinitiostudy of the volume dependence of dynamical and thermodynamical properties of silicon, 10.1103/physrevb.53.4488
  39. Ph. Ghosez, Ferroelectrics, 153, 91 (1994)
  40. Ghosez Ph., Gonze X., Lambin Ph., Michenaud J.-P., Born effective charges of barium titanate: Band-by-band decomposition and sensitivity to structural features, 10.1103/physrevb.51.6765
  41. Ph. Ghosez, Ferroelectrics, 164, 113 (1995)
  42. Ghosez Ph, Gonze X, Michenaud J.-P, Coulomb interaction and ferroelectric instability of BaTiO3, 10.1209/epl/i1996-00404-8
  43. Ceperley D. M., Alder B. J., Ground State of the Electron Gas by a Stochastic Method, 10.1103/physrevlett.45.566
  44. Payne M. C., Teter M. P., Allan D. C., Arias T. A., Joannopoulos J. D., Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients, 10.1103/revmodphys.64.1045
  45. Teter Michael, Additional condition for transferability in pseudopotentials, 10.1103/physrevb.48.5031
  46. Monkhorst Hendrik J., Pack James D., Special points for Brillouin-zone integrations, 10.1103/physrevb.13.5188
  47. Murnaghan F. D., The Compressibility of Media under Extreme Pressures, 10.1073/pnas.30.9.244
  48. Keskar Nitin R., Troullier N., Martins José Luriaas, Chelikowsky James R., Structural properties ofSiO2in the stishovite structure, 10.1103/physrevb.44.4081
  49. Striefler M. E., Barsch G. R., Elastic, optical, and dielectric properties and their pressure derivatives of rutile-structure oxides in a modified rigid ion approximation, 10.1002/pssb.2220670113
  50. C. Lee, J. Phys.: Condens. Matter, 7, 3693 (1995)
  51. Tsuneyuki S., Tsukada M., Aoki H., Matsui Y., First-Principles Interatomic Potential of Silica Applied to Molecular Dynamics, 10.1103/physrevlett.61.869
  52. van Beest B. W. H., Kramer G. J., van Santen R. A., Force fields for silicas and aluminophosphates based onab initiocalculations, 10.1103/physrevlett.64.1955
  53. L. D. Landau, Theory of Elasticity (1986)
  54. Miller P. B., Axe J. D., Internal Strain and Raman-Active Vibrations in Solids, 10.1103/physrev.163.924
  55. Unruh H. -G., M�hlenberg D., Hahn Ch., Ferroelastic phase transition in CaCl2 studied by Raman spectroscopy, 10.1007/bf01323557
  56. Ch. Hahn, Phys. Rev. B, 43, 12 (1991)
  57. Hamann D. R., Generalized Gradient Theory for Silica Phase Transitions, 10.1103/physrevlett.76.660
  58. Ziqin Wu, Boquan Li, Random successive growth model for pattern formation, 10.1103/physreve.51.r16
  59. N. L. Ross, Am. Mineral., 75, 739 (1990)
  60. Hill R.J., Newton M.D., Gibbs G.V., A crystal chemical study of stishovite, 10.1016/0022-4596(83)90007-5
  61. SINCLAIR W., RINGWOOD A. E., Single crystal analysis of the structure of stishovite, 10.1038/272714a0
  62. Olinger Bart, The compression of stishovite, 10.1029/jb081i029p05341
  63. Liu Lin-Gun, Bassett William A., Takahashi Taro, Effect of pressure on the lattice parameters of stishovite, 10.1029/jb079i008p01160
  64. Allan Douglas C., Teter Michael P., Local Density Approximation Total Energy Calculations for Silica and Titania Structure and Defects, 10.1111/j.1151-2916.1990.tb06445.x