Ab initio study of 180° domain wall energy and structure in PbTiO3

Applied Physics Letters

Volumn 75, Issue 18, 1999, Pages 2830-2832

  Poykko S ^a   Chadi, D J ^a  

^a NEC LABORATORIES AMERICA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0041713885     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.125164     Document Type: Article

References (25)

1. See, for example, J. F. Scott, Ferroelectrics Review 1, 1 (1998).
2. R. D. King-Smith and D. Vanderbilt, Phys. Rev. B 47, 1651 (1993); 49, 5828 (1994); D. Vanderbilt and R. D. King-Smith, ibid. 48, 4442 (1993).
3. R. D. King-Smith and D. Vanderbilt, Phys. Rev. B 47, 1651 (1993); 49, 5828 (1994); D. Vanderbilt and R. D. King-Smith, ibid. 48, 4442 (1993).
4. R. D. King-Smith and D. Vanderbilt, Phys. Rev. B 47, 1651 (1993); 49, 5828 (1994); D. Vanderbilt and R. D. King-Smith, ibid. 48, 4442 (1993).
5. R. E. Cohen, Nature (London) 358, 136 (1992); R. E. Cohen and H. Krakauer, Phys. Rev. B 42, 6416 (1990).
6. R. E. Cohen, Nature (London) 358, 136 (1992); R. E. Cohen and H. Krakauer, Phys. Rev. B 42, 6416 (1990).
7. W. Zhong, R. D. King-Smith, and D. Vanderbilt, Phys. Rev. Lett. 72, 3618 (1994); W. Zhong, D. Vanderbilt, and K. M. Rabe, ibid. 73, 1861 (1994).
8. W. Zhong, R. D. King-Smith, and D. Vanderbilt, Phys. Rev. Lett. 72, 3618 (1994); W. Zhong, D. Vanderbilt, and K. M. Rabe, ibid. 73, 1861 (1994).
9. U. V. Waghmare and K. M. Rabe, Phys. Rev. B 55, 6161 (1997).
10. C. H. Park and D. J. Chadi, Phys. Rev. B 57, 13 961 (1998).
11. S. Pöykkö and D. J. Chadi, Phys. Rev. Lett. 83, 1231 (1999).
12. J. Padilla and D. Vanderbill, Phys. Rev. B 56, 1625 (1997).
13. J. Padilla, W. Zhong, and D. Vanderbilt, Phys. Rev. B 53, 5696 (1996).
14. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992).
15. R. O. Jones and O. Gunnarson, Rev. Mod. Phys. 61, 689 (1989).
16. L. Kleinmann and D. M. Bylander, Phys. Rev. Lett. 48, 1425 (1982).
17. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991).
18. S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B 26, 1738 (1982).
19. M. Fuchs and M. Scheffler, Comput. Phys. Commun. 119, 67 (1999); X. Gonze, P. Käckell, and M. Scheffler, Phys. Rev. B 41, 12 264 (1990); X. Gonze, R. Stumpf, and M. Scheffler, Phys. Rev. B 44, 8503 (1991).
20. M. Fuchs and M. Scheffler, Comput. Phys. Commun. 119, 67 (1999); X. Gonze, P. Käckell, and M. Scheffler, Phys. Rev. B 41, 12 264 (1990); X. Gonze, R. Stumpf, and M. Scheffler, Phys. Rev. B 44, 8503 (1991).
21. M. Fuchs and M. Scheffler, Comput. Phys. Commun. 119, 67 (1999); X. Gonze, P. Käckell, and M. Scheffler, Phys. Rev. B 41, 12 264 (1990); X. Gonze, R. Stumpf, and M. Scheffler, Phys. Rev. B 44, 8503 (1991).
22. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
23. Landolt-Börnstein Tables, edited by K.-H. Hellwege and A. M. Hellwege (Springer, Berlin, 1969).
24. T. J. Yang, V. Gopalan, P. J. Swart, and U. Mohideen, Phys. Rev. Lett. 82, 4106 (1999).
25. Y. G. Wang, J. Dec, and W. Kleemann, J. Appl. Phys. 84, 6795 (1998).