Ferroelectric phase transitions in nano-scale chemically ordered PbSc 0.5Nb0.5O3 using a first-principles model Hamiltonian

Ferroelectrics

Volumn 291, Issue , 2003, Pages 187-196

  Waghmare, Umesh V ^a   Cockayne, Eric J ^b   Burton, Benjamin P ^b  

^a JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

^b NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

Author keywords

Ferroelectric phase transitions; Molecular dynamics simulations

Indexed keywords

COMPUTER SIMULATION; DIELECTRIC PROPERTIES; FAST FOURIER TRANSFORMS; HAMILTONIANS; LEAD COMPOUNDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PHASE TRANSITIONS;

CHEMICAL DISORDER; DIELECTRIC RESPONSE; FERROELECTRIC PHASE TRANSITION; MOLECULAR DYNAMICS SIMULATIONS;

FERROELECTRIC MATERIALS;

EID: 1642579881     PISSN: 00150193     EISSN: 15635112     Source Type: Conference Proceeding    
DOI: 10.1080/00150190390222682     Document Type: Conference Paper

References (28)

1. G. A. Smolensky and A. I. Agranovskaya, Sov. Phys. Sol. State 1, 1429 (1959).
2. L. E. Cross, Ferroelectrics 76, 241 (1987).
3. D. Viehland, S. J. Jang, L. E. Cross, and M. Wuttig, J. Appl. Phys. 68, 2916 (1990).
4. M. E. Lines and A. M. Glass, Principles and Applications of Ferroelectrics and Related Materials, Clarendon Press, Oxford (1979).
5. N. Setter and L. E. Cross, J. Appl. Phys. 51, 4356 (1980).
6. V. Westphal, W. Kleemann, and M. D. Glinchuk, Phys. Rev. Lett. 68, 847 (1992).
7. C. G. F. Stenger and A. J. Burggraaf, Phys. Stat. Sol. a 61, 274 (1980).
8. C. Perrin, N. Menguy, O. Bidault, C. Y. Zahra, A.-M. Zahra, C. Caranoni, B. Hilczer, and A. Stepanov, J. of Phys. Cond Matt. 13, 10231 (2001).
9. M. P. Harmer, J. Chen, P. Peng, H. M. Chan, and D. M. Smyth, Ferroelectrics 97, 263 (1989).
10. F. Chu, I. M. Reaney, and N. Setter, J. Appl. Phys. 77, 1671 (1995).
11. F. Chu, I. M. Reaney, and N. Setter, J. Am. Ceram. Soc. 78, 1947 (1995).
12. C. Malibert, B. Dkhil, J. M. Kiat, D. Durand, J. R Berar, and A. Spasojevic-de Bire, J. of Phys. Cond Matt. 9, 7485 (1997).
13. R. Blinc, J. Dolinsek, A. Gregorovic, B. Zalar, C. Rilipie, Z. Kutjnak, A. Levstik, and R. Pire, Phys. Rev. Lett. 83, 424 (1999).
14. A. E. Glazounov, A. K. Tagantsev, and A. J. Bell, Phys. Rev. B 53, 11281 (1996).
15. A. K. Tagantsev, Phys. Rev. Lett. 72, 1100 (1994).
16. Fan Chu, G. R. Fox, and N. Setter, J. Am. Ceram. Soc. 81, 1577 (1998).
17. P. M. Gehring, S.-E. Park, and G. Shirane, Phys. Rev. Lett. 84, 5216 (2000).
18. C. Perrin, N. Menguy, E. Suard, Ch Muller, C. Caranoni, and A. Stepanov, J. of Phys. Cond Matt. 12, 7523 (2000).
19. T. Y. Koo, P. M. Gehring, G. Shirane, V. Kiryukhin, S.-G. Lee, and S.-W. Cheong, Phys. Rev. B 65, 144113, (2002).
20. N. Takesue, Y. Fujii, M. Ichihara, and H. Chen, Phys. Rev. Lett. 82, 3709 (1999).
21. N. Takesue, Y. Fujii, M. Ichihara, H. Chen, S. Takemori, and J. Hatano, J. of Phys. Cond Matt. 11, 8301 (1999).
22. E. Cockayne, B. P. Burton, and L. Bellaiche, Fundamental Physics of Ferroelectrics 2001, Ed. H. Krakauer, AIP Conference Proceedings, 2001.
23. R. Hemphill, L. Bellaiche, A. Garcia, and D. Vanderbilt, Appl. Phys. Lett. 77, 3642 (2000).
24. K. M. Rabe and U. V. Waghmare, Phys. Rev. B 52, 13236 (1995).
25. U. V. Waghmare and K. M. Rabe, Phys. Rev. B 55, 6161 (1997).
26. Numerical Recipes in Fortran.
27. E. B. Tadmor, U. V. Waghmare, G. S. Smith, and E. Kaxiras, Phys. Rev. B, in press.
28. Jorge Iniguez and L. Bellaiche, Phys. Rev. Lett. 87, 095503 (2001).