Statistical mechanics of cation ordering and lattice dynamics calculations of disordered and some ordered phases of PbZrxTi1-xO 3

Ferroelectrics

Volumn 307, Issue , 2004, Pages 25-37

  Zinenko, V I ^a   Sofronova, S N ^a  

^a KIRENSKY INSTITUTE OF PHYSICS   (Russian Federation)

Author keywords

Cation ordering; Disordered phase; Monte Carlo method; PbZrxTi 1 xO3

Indexed keywords

DIFFUSION; HAMILTONIANS; LEAD; MONTE CARLO METHODS; PHASE TRANSITIONS; STATISTICAL MECHANICS; THERMODYNAMIC PROPERTIES;

CATION ORDERING; DISORDERED PHASE; GORDON-KIM MODEL; PBZRXTI 1-XO3;

PIEZOELECTRIC MATERIALS;

EID: 33746265815     PISSN: 00150193     EISSN: 15635112     Source Type: Conference Proceeding    
DOI: 10.1080/00150190490492637     Document Type: Article

References (18)

1. B. Noheda, J. A. Gonzalo, L. E. Cross, R. Guo, S.-E. Park, D. E. Cox, and G. Shirane, Phys. Rev. B61, 8687 (2000).
2. D. Viehland, Phys. Rev. B52, 778 (1995).
3. M. Fornari and D. J. Singh, arXiv:cond-mat/0012126, 1, 7 Dec 2000.
4. G. Saghi-Szabo and R. E. Cohen, Ferroelectrics 194, 287 (1997).
5. L. Bellaiche and D. Vanderbilt, Phys. Rev. Lett. 83, 1347 (1999).
6. L. Bellaiche and D. Vanderbilt, Phys. Rev. B61, 7877 (2000).
7. G. Saghi-Szabo, R. E. Cohen, and H. Krakauer, Phys. Rev. B59, 12771 (1999).
8. H. Fu, O.Gülseren, Phys. Rev. B66, 214114 (2002).
9. A. G. Hachaturyan. The theory of phase transitions and structure of solid solution (Nauka, Moscow, 1974). (in Russian)
10. O. V. Ivanov and E. G. Maksimov, Zh. Eksp. Tear. Fiz. 108, 1841 (1995). (in Russian)
11. V. I. Zinenko, N. G. Zamkova, and S. N. Sofronova, Zh. Eksp. Tear. Fiz. 123, 846 (2003).
12. B. P. Burton and R. E. Cohen, Ferroelectrics 151, 331, (1994).
13. D. Metropolis, A. Rosenbluth, and U. Teller, J. Chem. Phys. 21, 1087 (1953).
14. L. Guttman, J. Chem. Phys. 34, 1024 (1961).
15. N. G. Zamkova, V. I. Zinenko, O. V. Ivanov, E. G. Maksimov, and S. N. Sofronova, Ferroelectrics 283, 49 (2003).
16. W. Zhong, R.D. King-Smith, and D. Vanderbilt, Phys. Rev. Let. 72, 3618 (1994).
17. P. Ghonsez, E. Cockrayne, U.V. Waghmare, and K. M. Rabe, Phys. Rev. B60, 836 (1999).
18. L. Bellaiche, J. Padilla, and D. Vanderbilt, arXiv:cond-mat/9802209, 1, 19 Feb 1998.