Ab initio study of strain-induced ferroelectricity in SrTiO3

Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers

Volumn 44, Issue 9 B, 2005, Pages 7134-7140

  Hashimoto, Takatoshi ^a,b   Nishlmatsu, Takeshi ^a   Mizuseki, Hiroshi ^a   Kawazoe, Yoshiyuki ^a   Sasaki, Atsushi ^b   Ikeda, Yoshiaki ^b  

^a TOHOKU UNIVERSITY   (Japan)

^b NEC TOKIN CORPORATION   (Japan)

Author keywords

Biaxial strain; Density functional theory; Last mode; Local density approximation; Potential surface; Slater mode

Indexed keywords

ELECTRIC DISTORTION; NUMERICAL CONTROL SYSTEMS; OPTIMIZATION; STRAIN CONTROL; TEMPERATURE MEASUREMENT;

BIAXIAL STRAIN; DENSITY FUNCTIONAL THEORY; LAST MODE; LOCAL DENSITY APPROXIMATION; POTENTIAL SURFACE; SLATER MODE;

FERROELECTRICITY;

EID: 31844441901     PISSN: 00214922     EISSN: 13474065     Source Type: Journal    
DOI: 10.1143/JJAP.44.7134     Document Type: Article

References (32)

1. V. M. Goldschmidt: Akad. Oslo Math-Natur. 2 (1926) 7.
2. R. D. Shannon: Acta Cryst. A 32 (1976) 751.
3. K.-H. Hellwege and A. M. Hellwege: Landolt-Börnstein: Numerical Data and Functional Relationships in Science and Technology (Springer, Berlin, 1981) New Series, Group III, Vol. 16a, p. 59.
4. H. Unoki and T. Sakudo: J. Phys. Soc. Jpn. 23 (1967) 546.
5. P. A. Fleury, J. F. Scott and J. M. Worlock: Phys. Rev. Lett. 21 (1968) 16.
6. G. Shirane and Y. Yamada: Phys. Rev. 177 (1969) 858.
7. B. Okai and J. Yoshimoto: J. Phys. Soc. Jpn. 39 (1975) 162.
8. K. A. Müller and H. Burkard: Phys. Rev. Lett. 26 (1970) 13.
9. R. Viana, P. Lunkerheimer, J. Hemberger, R. Bohmer and A. Loidl: Phys. Rev. B 50 (1994) 601.
10. M. Itoh, R. Wang, Y. Inaguma, T. Yamaguchi, Y. J. Shan and T. Nakamura: Phys. Rev. Lett. 82 (1999) 3540.
11. J. H. Barrett: Phys. Rev. 86 (1952) 118.
12. E. Sawaguchi, A. Kikuchi and Y. Kodera: J. Phys. Soc. Jpn. 18 (1963) 459.
13. J. H. Haeni et al.: Nature 430 (2004) 758.
14. T. Schimizu: Solid State Commun. 102 (1997) 523.
15. A. Antons, J. B. Neaton, K. M. Rabe and D. Vanderbilt: Phys. Rev. B 71 (2005) 024102.
16. T. Hashimoto, T. Nishimatsu, H. Mizuseki, Y. Kawazoe, A. Sasaki and Y. Ikeda: Jpn. J. Appl. Phys. 43 (2004) 6785.
17. R. D. King-Smith and D. Vanderbilt: Phys. Rev. B 49 (1994) 5828.
18. X. Gonze et al.: Comput. Mater. Sci. 25 (2002) 478.
19. M. Teter: Phys. Rev. B 48 (1993) 5031.
20. M. Bernasconi, G. L. Chiarotti, P. Focher, S. Scandolo, E. Tosatti and M. Parrinello: J. Phys. Chem. Solids 56 (1995) 501.
21. S. Goedecker, M. Teter and J. Hutter; Phys. Rev. B 54 (1996) 1703.
22. D. M. Ceperley and B. J. Alder: Phys. Rev. Lett. 45 (1980) 566.
23. A. Okazaki and M. Kawaminami: Mater. Res. Bull. 8 (1973) 545.
24. R. E. Cohen: Nature 358 (1992) 136.
25. R. D. King-Smith and D. Vanderbilt: Phys. Rev. B 47 (1993) 1651.
26. R. Resta: Rev. Mod. Phys. 66 (1994) 899.
27. E. Sawaguchi, A. Kikuchi and Y. Kodera: J. Phys. Soc. Jpn. 17 (1962) 1666.
28. N. Sai and D. Vanderbilt: Phys. Rev. B 62 (2000) 13942.
29. J. C. Slater: Phys. Rev. 78 (1950) 748.
30. J. T. Last: Phys. Rev. 105 (1957) 1740.
31. J. Harada, J. D. Axe and G. Shirane: Acta Crystallogr. Sect. A 26 (1970) 608.
32. F. Izumi: J. Crystallogr. Soc. Jpn. 44 (2002) 380 [in Japanese].