Periodic slab LAPW computations for ferroelectric BaTiO3

Journal of Physics and Chemistry of Solids

Volumn 57, Issue 10, 1996, Pages 1393-1396

  Cohen, R E ^a  

^a GEOPHYSICAL LABORATORY   (United States)

Author keywords

A. oxides; A. surfaces; C. ab initio calculations; D. electronic structure; D. ferroelectricity

Indexed keywords

BARIUM TITANATE; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; SURFACE PROPERTIES;

SURFACE EFFECTS;

FERROELECTRIC MATERIALS;

EID: 0030270161     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/0022-3697(96)00003-0     Document Type: Article

References (23)

1. Lines M. E. and Glass A. M., Principles and Applications of Ferroelectrics and Related Materials. Clarendon Press, Oxford (1977).
2. Gong Z. and Cohen R. E., Ferroelectrics 136, 113 (1992).
3. Tsai F. and Cowley J. M., Appl. Phys. Lett. 65, 1906 (1994).
4. Niepce J. C., Surfaces and Interfaces of Ceramic Materials (Edited by L.-C. Dufour), p. 521. Kluwer, New York (1989).
5. Uchino K., Sadanaga E., Oonishi K. et al., Ceramic Trans. 8, 107 (1990).
6. Cord B. and Courths R., Surf. Sci. 152/153, 1141 (1985).
7. Hikita T., Hanada T. and Kudo M., Surf. Sci. 287/288, 377 (1993).
8. Powell R. A. and Spicer W. E., Phys. Rev. B 13, 2601 (1976).
9. Wolfram T., Kraut E. A. and Morin F. J., Phys. Rev. B 7, 1677 (1973).
10. Ellialtioglu S., Wolfram T. and Henrich V. E., Solid State Commun. 27, 321 (1978).
11. Tsukada M., Satoko C. and Adachi H., J. Phys. Soc. Jpn 48, 200 (1980).
12. Robey S. W., Hudson L. T., Henrich V. E., Eylem C. and Eichhorn B., J. Phys. Chem. Solids PCS 798.
13. LeFemina J. P., Crit. Rev. Surf. Chem. 3, 297 (1994).
14. Cohen R. E., Ferroelectrics 150, 1 (1993).
15. Cohen R. E., Nature 358, 136 (1992).
16. Cohen R. E. and Krakauer H., Ferroelectrics 136, 65 (1992).
17. Zhong W. and Vanderbilt D., Phys. Rev. Lett. 74, 2587 (1995).
18. Zhong W., Vanderbilt D. and Rabe K. M., Phys. Rev. Lett. 73, 1861 (1994).
19. Zhong W., Kingsmith R. D. and Vanderbilt D., Phys. Rev. Lett. 72, 3618 (1994).
20. Yu R. and Krakauer H., Phys. Res. Lett. 74, 4067 (1995).
21. Singh D., Ferroelectrics 164, 143 (1995).
22. Singh D. J., Planewaves, Pseudopotentials, and the LAPW Method, Kluwer, Boston (1994).
23. Lawrence P. J. and Parker S. C., Computer Modelling of Fluids Polymers and Solids (Edited by C. R. A. Catlow, S. C. Parker and M. P. Allen), p. 219. Kluwer, Boston (1990).