First-principles approach to the effect of c-axis elongation of BaTiO3 thin films

Japanese Journal of Applied Physics, Part 2: Letters

Volumn 37, Issue 2 SUPPL. B, 1998, Pages

  Schimizu, Tatsuo ^a   Kawakubo, Takashi ^a  

^a TOSHIBA CORPORATION   (Japan)

Author keywords

BaxSr1 xTiO3; Born dynamical effective charge; c axis elongation; Ferroelectricity; First principles calculation; In plane stress; Polarizations

Indexed keywords

ATOMIC PHYSICS; CRYSTAL LATTICES; DEFORMATION; PEROVSKITE; TENSILE PROPERTIES; THIN FILMS;

EFFECT OF C-AXIS ELONGATION;

BARIUM TITANATE;

EID: 0032003122     PISSN: 00214922     EISSN: None     Source Type: Journal    
DOI: 10.1143/JJAP.37.L235     Document Type: Article

References (7)

1. T. Kawakubo, K Abe, K. Komatsu, K. Sano, N. Yanase and H. Mochizuki: Tech. Dig. of IEDM in San Francisco, 1996, p. 695.
2. D. M. Cepcrley and B. J. Alder: Phys. Rev. Lett. 45 (1980) 566.
3. J. Perdew and A. Zunger: Phys. Rev. B23 (1981) 5048.
4. D. Vanderbill: Phys. Rev. B41 (1990) 7892.
5. Landolt and Bornstein: Numerical Data & Functional Relations in Science & Technology - Crystal & Solid State Physics (Springer, Berlin, 1982).
6. J. D. Axe: Phys. Rev. 157 (1967) 429.
7. T. Kawakubo: in preparation for publication.