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《中国物理C》（英文）编辑部
2024年10月30日
Chinese Physics C> 2003, Vol. 27> Issue(S1) : 72-76 

Perovskite (Pbnm) structures transformations at high pressure

  •  Beijing Synchrotron Radiation Facility,Institute of High Energy Physics,CAS,Beijing 100039,China2 Department of Geology,Peking University,Beijing 100871,China

  • Perovskite type compounds of general formula ABX3 have the most commonly adopted structure (Pbnm),to some extent distorted from the ideal structure Pm3m.Their structures transformations are diverse at high pressure.Three parameters (t,VA/VB,Etot),which are used to describe the stabilization of perovskite structures,are introduced briefly.Applied threeparameters,all models of perovskite structure (Pbnm) changing at high pressure are summed up.Some of the models suit all perovskites structures.As an example,CaTiO3 (Pbnm) structure changing at high pressure is analyzed by applying several models and qualitatively draws a conclusion that the structure symmetry is reduced with enhancing the pressure.
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    [1] Dobal P S, Dixit A, Katiyar R S et al. J. Appl. Phys.2001,89 80852 Watanabe S,Koyama Y. Phys. Rev.,2002, B66:1341023 Sleight A W,Cillson J L, Bierstedt P E. Solid State Commun. 1975,17:274 Fontcuberta J, Martinez B,Seffar A et al. Phys. Rev. Lett.,1996 76:11225 Hearne G R, Pasternak M P, Taylor R D et al. Phys. Rev.,1995 51:114956 Glazer A M. Acta Cryst.,1972,B28;33847 Glazer A M. Acta Cryst.,1975,A31 ;7568 Ranjan R, Padey D, Siruguri V et al. J. Phys.:Condensed Matter 1999,11;22339 Redfern S A T. J. Phys.:Condensed Matter, 1996,8:826710 Kennedy B J, Hunter B A. Phys. Rev.,1998,B58:65311 Kennedy B J, Howard C J, Chakoumakos B C et al. Phys. Rev. 1999,B59:402312 Venkateswaran U D, Naik V M,Naik R. Phys. Rev.,1998,B58:1425613 Sani A,Hanfland M,Levy D. J. Phys.:Condensed Matter, 2002 14:1060114 Bouvier P,Kreisel J. J. Phys.:Condensed Matter, 2002, 14:398115 Ming L T, Eto T, Takeda K et al. J. Phys :Condensed Matter:2002,14:1047516 Kudoh Y, Ito E,Takeda. Phys. Chem. Miner.,1987,14:35017 Yamanaka T, Hirai N,Komatsu Y. Amer. Miner.，2002，87:118318 Magyari-Kope B, Vitos L，Johansson B et al. Acta Cryst.，2001，B57:49119 Magyari-Kope B, Vitos L，Johansson B et al. Comput. Mater.Sci.，2002 25:61520 Magyari-Kope B，Vitos L, Johansson B et al. Phys. Rev.，2002,B66:09210321 Shannon R D. Acta Cryst.，1976，A32:75122 Thomas N W. Acta Cryst.，1996，B52:1623 Thomas N W. Acta Cryst.，1998，B54:58524 Zunic T B,Vickovic I. J. Appl. Cryst.，1996，29:30525 Blaha P, Schwarz K，Madsen G et al. WIEN2K-Users Guide,2002:http;//www. wien2k. at/ reg_user/textbooks/26 Howard C J,Stokes H T. Acta Cryst.，1998，B54:78227 Muscat J, Swamy V, Harrison N M. Phys. Rev.，2002，B65:22411228 Lindbaum A, Heathman S, Kresses G et al. J. Phys.:Condensed Matter, 2000, 12:321929 WU X, QIN S, WU Z Y et al. Acta Phys. Sin (in Chinese. in press)(巫翔，秦善，吴白玉等.物理学报，(待发表))30 XIONC D H，MINC L C，Manghnani M H. Phys. Earth. Planet.Inte.，1986, 43:24431 Cillet P, Cuyot F, Price C D et al. Phys. Chem. Miner.，1993，20:15932 Ross N L, Angel R J. Amer Miner.，1999，84:277

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WU Xiang, QIN Shan, WU Zi-Yu, DONG Yu-Hui, LIU Jing and LI Xiao-Dong. Perovskite (Pbnm) structures transformations at high pressure[J]. Chinese Physics C, 2003, 27(S1): 72-76.
WU Xiang, QIN Shan, WU Zi-Yu, DONG Yu-Hui, LIU Jing and LI Xiao-Dong. Perovskite (Pbnm) structures transformations at high pressure[J]. Chinese Physics C, 2003, 27(S1): 72-76. shu
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Received: 2003-11-21
Revised: 1900-01-01
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Perovskite (Pbnm) structures transformations at high pressure

    Corresponding author: WU Xiang,
  • Beijing Synchrotron Radiation Facility,Institute of High Energy Physics,CAS,Beijing 100039,China2 Department of Geology,Peking University,Beijing 100871,China
  • Received Date: 2003-11-21
  • Accepted Date: 1900-01-01
  • Available Online: 2003-01-02

Abstract: Perovskite type compounds of general formula ABX3 have the most commonly adopted structure (Pbnm),to some extent distorted from the ideal structure Pm3m.Their structures transformations are diverse at high pressure.Three parameters (t,VA/VB,Etot),which are used to describe the stabilization of perovskite structures,are introduced briefly.Applied threeparameters,all models of perovskite structure (Pbnm) changing at high pressure are summed up.Some of the models suit all perovskites structures.As an example,CaTiO3 (Pbnm) structure changing at high pressure is analyzed by applying several models and qualitatively draws a conclusion that the structure symmetry is reduced with enhancing the pressure.

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