Interplay between A -site and B -site driven instabilities in perovskites
作者： M. Ghita , M. Fornari , D. J. Singh , S. V. Halilov
DOI: 10.1103/PHYSREVB.72.054114
关键词:
摘要: Density functional calculations are used to investigate the trends in lattice instabilities of perovskites, BaTiO{sub 3}, PbTiO{sub BaZrO{sub and PbZrO{sub 3} with volume. A simple scheme for classifying perovskites terms A-site B-site activities is discussed relation competition between rhombohedral tetragonal ground states.
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R. Guo, L. E. Cross, S-E. Park, B. Noheda, D. E. Cox, G. Shirane, Origin of the high piezoelectric response in PbZr1-xTixO3 Physical Review Letters. ,vol. 84, pp. 5423- 5426 ,(2000) , 10.1103/PHYSREVLETT.84.5423
Ilya Grinberg, Andrew M. Rappe, Local structure and macroscopic properties inPbMg1∕3Nb2∕3O3−PbTiO3andPbZn1∕3Nb2∕3O3−PbTiO3solid solutions Physical Review B. ,vol. 70, ,(2004) , 10.1103/PHYSREVB.70.220101
R. S. Nasar, M. Cerqueira, E. Longo, E. R. Leite, A. J. Varela, A. Beltrán, J. Andrés, Experimental and theoretical study on the piezoelectric behavior of barium doped PZT Journal of Materials Science. ,vol. 34, pp. 3659- 3667 ,(1999) , 10.1023/A:1004647204505
Ilya Grinberg, Andrew M Rappe, Ab initio study of silver niobate Fundamental Physics of Ferroelectrics 2003. ,vol. 677, pp. 130- 138 ,(2003) , 10.1063/1.1609946
Huaxiang Fu, Ronald E. Cohen, Polarization rotation mechanism for ultrahigh electromechanical response in single-crystal piezoelectrics Nature. ,vol. 403, pp. 281- 283 ,(2000) , 10.1038/35002022
Andrew M. Rappe, Ilya Grinberg, Local structure and macroscopic properties in Pb Mg 1 ∕ 3 Nb 2 ∕ 3 O 3 − Pb Ti O 3 and Pb Zn 1 ∕ 3 Nb 2 ∕ 3 O 3 − Pb Ti O 3 solid solutions Physical Review B. ,vol. 70, pp. 220101- ,(2004) , 10.1103/PHYSREVB.70.220101
S. V. Halilov, M. Fornari, D. J. Singh, Lattice instabilities in (Pb,Cd)TiO3 alloys Applied Physics Letters. ,vol. 81, pp. 3443- 3445 ,(2002) , 10.1063/1.1518562
D. Y. Suárez-Sandoval, P. K. Davies, Structure and phase stability of the CdTiO3–PbTiO3 system Applied Physics Letters. ,vol. 82, pp. 3215- 3217 ,(2003) , 10.1063/1.1573362
Marco Fornari, David J. Singh, Possible coexistence of rotational and ferroelectric lattice distortions in rhombohedral PbZr x Ti 1 − x O 3 Physical Review B. ,vol. 63, pp. 092101- ,(2001) , 10.1103/PHYSREVB.63.092101
Ph. Ghosez, E. Cockayne, U. V. Waghmare, K. M. Rabe, Lattice dynamics of BaTiO 3 , PbTiO 3 , and PbZrO 3 : A comparative first-principles study Physical Review B. ,vol. 60, pp. 836- 843 ,(1999) , 10.1103/PHYSREVB.60.836