First-principles theory of structural phase transitions in cubic perovskites

Journal of the Korean Physical Society

Volumn 32, Issue SUPPL. 1, 1998, Pages

  Vanderbilt, David ^a  

^a RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0032349150     PISSN: 03744884     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (65)

1. T. Mitsui, I. Tatsuzaki and E. Nakamura, An Introduction to the Physics of Ferroelectrics (Gordon and Breach, New York, 1976).
2. M. E. Lines and A. M. Glass, Principles and Applications of Ferroelectrics and Related Materials (Clarendon Press, Oxford, 1977).
3. G. A. Smolenski, editor, Ferroelectrics and Related Materials (Gordon and Breach, New York, 1984).
4. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
5. R. E. Cohen and H. Krakauer, Phys. Rev. B 42, 6416 (1990).
6. R. E. Cohen, Nature 358, 136 (1992).
7. D. J. Singh and L. L. Boyer, Ferroelectrics 136, 95 (1992).
8. R. E. Cohen and H. Krakauer, Ferroelectrics 136, 65 (1992).
9. R. Resta, M. Posternak, and A. Baldereschi, Phys. Rev. Lett. 70, 1010 (1993).
10. M. Posternak, R. Resta, and A. Baldereschi, Phys. Rev. B 50, 8911 (1994).
11. D. J. Singh, Phys. Rev. B 52, 12559 (1995).
12. D. J. Singh, Phys. Rev. B 53, 176 (1996).
13. D. J. Singh, Ferroelectrics 194, 299 (1997).
14. I. Inbar and R. E. Cohen, Ferroelectrics 194, 83 (1997).
15. R. D. King-Smith and D. Vanderbilt, Ferroelectrics 136, 85 (1992).
16. R. D. King-Smith and D. Vanderbilt, Phys. Rev. B 49, 5828 (1994).
17. A. García and D. Vanderbilt, Phys. Rev. B 54, 3817 (1996).
18. A. V. Postnikov, T. Neumann, G. Borstel, and M. Methfessel, Phys. Rev. B 48, 5910 (1993).
19. A. V. Postnikov, T. Neumann, and G. Borstel, Phys. Rev. B 50, 758 (1994).
20. A. V. Postnikov and G. Borstel, Phys. Rev. B 50, 16403 (1994).
21. A. V.Postnikov and G. Borstel, Ferroelectrics 194, 69 (1997).
22. U. V. Waghmare and K.M. Rabe, Ferroelectrics 194, 135 (1997).
23. R. D. King-Smith and D. Vanderbilt, Phys. Rev. B 47, 1651 (1993);
24. D. Vanderbilt and R. D. King-Smith, Phys. Rev. B 48, 4442 (1993).
25. R. Resta, Rev. Mod. Phys. 66, 899 (1994).
26. W. Zhong, R. D. King-Smith, and D. Vanderbilt, Phys. Rev. Letters 72, 3618 (1994).
27. S. Baroni, P. Giannozzi, and A. Testa, Phys. Rev. Lett. 58, 1861 (1987);
28. P. Giannozzi, S. de Gironcoli, P. Pavone, and S. Baroni, Phys. Rev. B 43, 7231 (1991).
29. Ph. Ghosez, X. Gonze and J. -P. Michenaud, Ferroelectrics 153, 91 (1994);
30. Ph. Ghosez, X. Gonze, Ph. Lambin and J. -P. Michenaud, Phys. Rev. B 51, 6765 (1995).
31. F. Detraux, Ph. Ghosez and X. Gonze, Phys. Rev. B 56, 983 (1997).
32. R. Resta, M. Posternak, and A. Baldereschi, Ferroelectrics 164, 153 (1995).
33. C. -Z. Wang, R. Yu and H. Krakauer, Phys. Rev. B 54, 11161 (1996).
34. C. -Z. Wang, R. Yu, and H. Krakauer, Ferroelectrics 194, 97 (1997).
35. Ph. Ghosez, X. Gonze and J. -P. Michenaud, Europhys. Letters 33, 713 (1996);
36. Ferroelectrics 186, 73 (1996).
37. R. Resta and S. Sorella, Phys. Rev. Lett. 74, 4738 (1995);
38. R. Resta, Ferroelectrics 194, 1 (1997).
39. R. Yu and H. Krakauer, Phys. Rev. B 49, 4467 (1994);
40. H. Krakauer, R. Yu, and C. -Z. Wang, Ferroelectrics 151, 39 (1994).
41. R. Yu and H. Krakauer, Phys. Rev. Lett. 74, 4067 (1995);
42. R. Yu, C. -Z. Wang, and H. Krakauer, Ferroelectrics 164, 161 (1995);
43. H. Krakauer, R. Yu, and C. -Z. Wang, J. Phys. Chem. Solids 57, 1409 (1996).
44. Ph. Ghosez, X. Gonze and J. -P. Michenaud, Ferroelectrics 194, 39 (1997);
45. Ph. Ghosez, X. Gonze and J. -P. Michenaud, Ferroelectrics, ibid., in press.
46. U. V. Waghmare, Ab Initio Statistical Mechanics of Structural Phase Transitions, PhD Thesis, Department of Applied Physics, Yale University, 1996.
47. C. LaSota, C. -Z. Wang, R. Yu and H. Krakauer, Ferroelectrics 194, 109 (1997).
48. K. M. Rabe and U. V. Waghmare, Ferroelectrics 136, 147 (1992).
49. K. M. Rabe and U. V. Waghmare, Phys. Rev. B 52, 13236 (1995).
50. W. Zhong, D. Vanderbilt, and K. M. Rabe, Phys. Rev. Lett. 73, 1861 (1994);
51. Phys. Rev. B 52, 6301 (1995).
52. W. Zhong and D. Vanderbilt, Phys. Rev. Lett. 74, 2587 (1995).
53. D. Vanderbilt and W. Zhong, Ferroelectrics, in press.
54. K. M. Rabe and U. V. Waghmare, J. Phys. Chem. Sol. 57, 1397 (1996);
55. U. V. Waghmare and K. M. Rabe, Phys. Rev. B 55, 6161 (1997).
56. H. Krakauer, R. Yu, C. -Z. Wang and C. LaSota, Ferroelectrics, in press.
57. K. M. Rabe and U. V. Waghmare, Phil. Trans. Roy. Soc. Lond. A 354, 2897 (1996).
58. W. Zhong and D. Vanderbilt, Phys. Rev. B 53, 5047 (1996).
59. G. Saghi-Szabo, R. E. Cohen, and H. Krakauer, Ferroelectrics, in press.
60. G. Saghi-Szabo and R. E. Cohen, Ferroelectrics 194, 287 (1997).
61. N. J. Ramer, E. J. Mele, and A. M. Rappe, Ferroelectrics, in press.
62. J. Padilla, W. Zhong, and D. Vanderbilt, Phys. Rev. B 53, R5969 (1996).
63. R. E. Cohen, J. Phys. Chem. Solids 57, 1393 (1996);
64. Ferroelectrics 194, 323 (1997).
65. J. Padilla and D. Vanderbilt, Phys. Rev. B 56, 1625 (1997).