First-principles exploration of ferromagnetic and ferroelectric double-perovskite transition-metal oxides

Physica B: Condensed Matter

Volumn 383, Issue 1, 2006, Pages 9-12

  Uratani, Y ^a   Shishidou, T ^a   Ishii, F ^b   Oguchi, T ^a  

^a HIROSHIMA UNIVERSITY   (Japan)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

Double perovskite structure; Ferroelectric; Ferromagnetic; First principles calculation; Multiferroics

Indexed keywords

BISMUTH; FERROELECTRIC MATERIALS; FERROMAGNETIC MATERIALS; IONS; LATTICE CONSTANTS; MAGNETIC MOMENTS; POLARIZATION;

DOUBLE-PEROVSKITE STRUCTURE; ELECTRIC POLARIZATION; FERROELECTRIC; FERROMAGNETIC; FIRST PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATION (GGA); GOODENOUGH KANAMORI RULE; LOCAL SPIN DENSITY APPROXIMATION (LSDA); MULTIFERROICS;

PEROVSKITE;

EID: 33746477534     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2006.03.035     Document Type: Article

References (12)

1. Goodenough J.B. Phys. Rev. 100 (1955) 564
2. Kanamori J. J. Phys. Chem. Solids 10 (1959) 87
3. Ueda K., Tabata H., and Kawai T. Science 280 (1998) 1064
4. Cohen R.E., and Krakauer H. Phys. Rev. B 42 (1990) 6416
5. Cohen R.E. Nature 358 (1992) 136
6. Cohen R.E., and Krakauer H. Ferroelectrics 136 (1992) 65
7. King-Smith R.D., and Vanderbilt D. Phys. Rev. B 49 (1994) 5828
8. Zhong W., King-Smith R.D., and Vanderbilt D. Phys. Rev. Lett. 72 (1994) 3618
9. Shishidou T., Mikamo N., Uratani Y., Ishii F., and Oguchi T. J. Phys.: Condens. Matter 16 (2004) S5677
10. Uratani Y., Shishidou T., Ishii F., and Oguchi T. Jpn. J. Appl. Phys. 44 (2004) 7130
11. Azuma M., Takata K., Saito T., Ishiwata S., Shimawaka Y., and Takano M. J. Am. Chem. Soc. 127 (2005) 8889
12. King-Smith R.D., and Vanderbilt D. Phys. Rev. B 47 (1993) 1651