Magnetically induced ferroelectricity in orthorhombic manganites: Microscopic origin and chemical trends

Physical Review B - Condensed Matter and Materials Physics

Volumn 78, Issue 1, 2008, Pages

  Yamauchi, Kunihiko ^a   Freimuth, Frank ^b   Blügel, Stefan ^b   Picozzi, Silvia ^a  

^a INFM   (Italy)

^b FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 46749149670     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.78.014403     Document Type: Article

References (42)

1. S. W. Cheong and M. Mostovoy, Nat. Mater. NMAACR 1476-1122 10.1038/nmat1804 6, 13 (2007).
2. A. P. Levanyuk and D. G. Sannikov, Sov. Phys. Usp. SOPUAP 0038-5670 10.1070/PU1974v017n02ABEH004336 17, 199 (1974).
3. M. Iizumi, J. D. Axe, G. Shirane and K. Shimaoka, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.15.4392 15, 4392 (1977).
4. T. Kimura, T. Goto, H. Shintani, K. Ishizaka, T. Arima, and Y. Tokura, Nature (London) NATUAS 0028-0836 10.1038/nature02018 426, 55 (2003).
5. I. A. Sergienko, C. Şen, and E. Dagotto, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.227204 97, 227204 (2006).
6. M. Mostovoy, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96. 067601 96, 067601 (2006).
7. I. A. Sergienko and E. Dagotto, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.094434 73, 094434 (2006).
8. H. Katsura, N. Nagaosa, and A. V. Balatsky, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95.057205 95, 057205 (2005).
9. S. Picozzi, K. Yamauchi, B. Sanyal, I. A. Sergienko, and E. Dagotto, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.99.227201 99, 227201 (2007).
10. B. Lorenz, Y. Q. Wang, and C. W. Chu, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.76.104405 76, 104405 (2007)
11. B. Lorenz, Y. Q. Wang, Y. Y. Sun, and C. W. Chu, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.212412 70, 212412 (2004).
12. J.-S. Zhou, J. B. Goodenough, J. M. Gallardo-Amores, E. Morán, M. A. Alario-Franco, and R. Caudillo, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.014422 74, 014422 (2006).
13. M. Tachibana, T. Shimoyama, H. Kawaji, T. Atake, and E. Takayama-Muromachi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.75.144425 75, 144425 (2007).
14. T. Mori, N. Kamegashira, K. Aoki, T. Shishido, and T. Fukuda, Mater. Lett. MLETDJ 0167-577X 10.1016/S0167-577X(01)00569-9 54, 238 (2002).
15. J. A. Alonso, M. J. Martínez-Lope, M. T. Casais, and M. T. Fernández-Díaz, Inorg. Chem. INOCAJ 0020-1669 10.1021/ic990921e 39, 917 (2000).
16. E. O. Wollan and W. C. Koehler, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.100.545 100, 545 (1955).
17. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
18. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
19. N. Marzari and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.12847 56, 12847 (1997)
20. I. Souza, N. Marzari and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.035109 65, 035109 (2001).
21. M. Posternak, A. Baldereschi, S. Massidda, and N. Marzari, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.184422 65, 184422 (2002).
22. http://www.flapw.de
23. E. Wimmer, H. Krakauer, M. Weinert, and A. J. Freeman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.24.864 24, 864 (1981).
24. F. Freimuth, Y. Mokrousov, D. Wortmann, S. Heinze, and S. Blügel (unpublished).
25. L. Nordström and A. Mavromaras, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i2000-00218-2 49, 775 (2000)
26. M. Divis, K. Schwarz, P. Blaha, G. Hilscher, H. Michor, and S. Khmelevskyi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.6774 62, 6774 (2000).
27. We recall that the polarization is obtained as a vectorial sum of the displacement of the Wannier-function centers with respect to the ionic positions+the contributions due to the point-charge model.
28. R. D. King-Smith and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.1651 47, 1651 (1993).
29. R. Resta, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.66.899 66, 899 (1994).
30. In our previous calculations (Ref.), our reference paraelectric structure was different from AFM- A chosen here and showed some noncollinear spin arrangements. However, the different path does not affect the final results as far as the polarization is concerned.
31. Ph. Ghosez, J.-P. Michenaud, and X. Gonze, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.6224 58, 6224 (1998).
32. T. Kimura, S. Ishihara, H. Shintani, T. Arima, K. T. Takahashi, K. Ishizaka, and Y. Tokura, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68. 060403 68, 060403 (R) (2003).
33. J. B. Goodenough, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.100.564 100, 564 (1955)
34. J. Kanamori, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(59) 90061-7 10, 87 (1959).
35. W. G. Yin, D. Volja, and W. Ku, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.116405 96, 116405 (2006).
36. V. I. Anisimov, F. Aryasetiawan, and A. I. Lichtenstein, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/9/4/002 9, 767 (1997).
37. S. Picozzi, K. Yamauchi, G. Bihlmayer, and S. Blugel, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.094402 74, 094402 (2006).
38. A. Munoz, M. T. Casais, J. A. Alonso, M. J. Martinez-Lope, J. L. Martinez, and M. T. Fernandez-Diaz, Inorg. Chem. INOCAJ 0020-1669 10.1021/ic0011009 40, 1020 (2001).
39. S. Okamoto, S. Ishihara, and S. Maekawa, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.144403 65, 144403 (2002).
40. A. Filippetti and N. A. Hill, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.195120 65, 195120 (2002).
41. A. Kokalj, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/S0927-0256(03) 00104-6 28, 155 (2003)
42. http://www.xcrysden.org/