Ab initio prediction of a multiferroic with large polarization and magnetization

Applied Physics Letters

Volumn 86, Issue 1, 2005, Pages

  Baettig, Pio ^a,b   Spaldin, Nicola A ^a  

^a University of California   (United States)

^b UNIVERSITY OF FRIBOURG   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRON LOCALIZATION FUNCTION (ELF); FERROELECTRIC POLARIZATION; SPONTANEOUS MAGNETIZATION;

BAND STRUCTURE; ELECTRONIC STRUCTURE; FERRIMAGNETISM; FERROMAGNETIC MATERIALS; GROUND STATE; MAGNETIZATION; PEROVSKITE; PIEZOELECTRICITY; POLARIZATION; PROBABILITY DENSITY FUNCTION;

FERROELECTRIC MATERIALS;

EID: 19744383942     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1843290     Document Type: Article

References (25)

1. M. Fiebig, T. Lottermoser, D. Fröhlich, A. V. Goltsev, and R. V. Pisarev, Nature (London) 419, 818 (2002).
2. H. Zheng, J. Wang, S. E. Lofland, Z. Ma, L. Mohaddes-Ardabili, T. Zhao, L. Salamanca-Riba, S. R. Shinde, S. B. Ogale, F. Bai, D. Viehland, Y. Jia, D. G. Schlom, M. Wuttig, A. Roytburd, and R. Ramesh, Science 303, 661 (2004).
3. Proceedings of the Fifth International Workshop on Magnetoelectric Interaction Phenomena in Crystals, edited by, M. Fiebig, V. Eremenko, and, I. E. Chupis, (Kluwer, Dordrecht, 2004).
4. H. Schmid, Ferroelectrics 162, 317 (1994).
5. T. Kimura, T. Goto, H. Shintani, K. Ishizaka, T. Arima, and Y. Tokura, Nature (London) 426, 55 (2003).
6. D. L. Fox and J. F. Scott, J. Phys. C 10, L329 (1977).
7. A. M. dos Santos, S. Parashar, A. R. Raju, Y. S. Zhao, A. K. Cheetham, and C. N. R. Rao, Solid State Commun. 122, 49 (2002).
8. N. A. Hill, J. Phys. Chem. B 104, 6694 (2000).
9. D. I. Khomskii, Bull. Am. Phys. Soc. C21, 002 (2001).
10. R. Seshadri and N. A. Hill, Chem. Mater. 13, 2892 (2001).
11. B. B. van Aken, T. T. M. Palstra, A. Filippetti, and N. A. Spaldin, Nat. Mater. 3, 164 (2004).
12. J. B. Neaton, U. V. Waghmare, C. Ederer, N. A. Spaldin, and K. M. Rabe Phys. Rev. B (to be published).
13. T. K. K. Ueda and H. Tabata, Science 280, 1064 (1998).
14. V. I. Anisimov, F. Aryasetiawan, and A. I. Liechtenstein, J. Phys.: Condens. Matter 9, 767 (1997).
15. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996).
16. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999).
17. T. Arima, Y. Tokura, and J. B. Torrance, Phys. Rev. B 48, 17006 (1993).
18. N. A. Hill, P. Baettig, and C. Daul, J. Phys. Chem. B 106, 3383 (2002).
19. R. D. King-Smith and D. Vanderbilt, Phys. Rev. B 47, 1651 (1993).
20. R. D. King-Smith and D. Vanderbilt, Phys. Rev. B 49, 5828 (1994).
21. R. Resta, Rev. Mod. Phys. 66, 899 (1994).
22. B. Silvi and A. Savin, Nature (London) 371, 683 (1994).
23. G. Saghi-Szabo, R. E. Cohen, and H. Krakauer, Phys. Rev. Lett. 80, 4321 (1998).
24. V. G. Gavrilyachenko, R. I. Spinko, M. A. Martynen, and R. G. Fesenko, Sov. Phys. Solid State 12, 1203 (1970).
25. O. K. Andersen, Phys. Rev. B 12, 3060 (1975).