Density functional investigations on electronic structures, magnetic ordering and ferroelectric phase transition in multiferroic Bi 2NiMnO6

AIP Advances

Volumn 2, Issue 2, 2012, Pages

  Zhao, Hong Jian ^a   Liu, Xiao Qiang ^a   Chen, Xiang Ming ^a  

^a ZHEJIANG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BISMUTH COMPOUNDS; CURIE TEMPERATURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; FERROELECTRIC MATERIALS; FERROELECTRICITY; MANGANESE COMPOUNDS; NICKEL COMPOUNDS;

AUGMENTED PLANE WAVES; CRYSTAL-FIELD SPLITTING; DENSITY FUNCTIONALS; EXCHANGE PARAMETERS; FERROELECTRIC DISTORTION; FERROELECTRIC PHASE TRANSITION; SUPEREXCHANGE INTERACTION; TEMPERATURE INCREASE;

MULTIFERROICS;

EID: 84871916172     PISSN: None     EISSN: 21583226     Source Type: Journal    
DOI: 10.1063/1.4709401     Document Type: Article

References (32)

1. J. Wang, J. B. Neaton, H. Zheng, V. Nagarajan, S. B. Ogale, B. Liu, D. Viehland, V. Vaithyanathan, D. G. Schlom, U. V. Waghmare, N. A. Spaldin, K. M. Rabe, M. Wuttig, and R. Ramesh, Science 299, 1719 (2003).
2. N. Hur, S. Park, P. A. Sharma, J. S. Ahn, S. Guha, and S-W. Cheong, Nature 429, 392 (2004).
3. S.-W. Cheong and M. Mostovoy, Nature Mater. 6, 13 (2007).
4. R. Ramesh and N. A. Spaldin, Nature Mater. 6, 21 (2007).
5. Y. Kitagawa, Y. Hiraoka, T. Honda, T. Ishikura, H. Nakamura, and T Kimura, Nature Mater. 9, 797 (2010).
6. P. Ghosez and J.-M. Triscone, Nature Mater. 10, 269 (2011).
7. K. Takata, M. Azuma, Y. Shimakawa, and M. Takano, J. Jpn. Soc. Powder and Powder Metal. 52, 913 (2005).
8. M. Azuma, K. Takata, T. Saito, S. Ishiwata, Y. Shimakawa, and M. Takano, J. Am. Chem. Soc. 127, 8889 (2005).
9. M. Sakai, A. Masuno, D. Kan, M. Hashisaka, K. Takata, M. Azuma, M. Takano, and Y. Shimakawa, Appl. Phys. Lett. 90, 072903 (2007).
10. P. Padhan, P. LeClair, A. Gupta, and G. Srinivasan, J. Phys.: Condens. Matter 20, 355003 (2008).
11. Y. Du, Z. X. Cheng, X. L. Wang, P. Liu, and S. X. Dou, J. Appl. Phys. 109, 07B507 (2011).
12. M. N. Iliev, P. Padhan, and A. Gupta, Phys. Rev. B 77, 172303 (2008).
13. P. Padhan, P. LeClair, A. Gupta, M. A. Subramanian, and G. Srinivasan, J. Phys.: Condens. Matter 21, 306004 (2009).
14. R. Seshadri and N. A. Hill, Chem. Mater. 13, 2892 (2001).
15. P. Ravindran, R. Vidya, A. Kjekshus, and H. Fjellvåg, Phys. Rev. B 74, 224412 (2006).
16. S. J. Clark and J. Robertson, Appl. Phys. Lett. 90, 132903 (2007).
17. K. Liu, H. Fan, P. Ren, and C. Yang, J. Alloys Compd. 509, 1901 (2011).
18. Y. Sun, Z.-F. Huang, H.-G. Fan, X. Ming, C.-Z. Wang, and G. Chen, Acta Phys. Sin. 58, 193 (2009). (in Chinese)
19. Y. Shimakawa, D. Kan, M. Kawai, M. Sakai, S. Inoue, M. Azuma, S. Kimurai, and O. Sakata, Jpn. J. Appl. Phys. 46, L845 (2007).
20. Y. Uratani, T. Shishidou, F. Ishii, and T. Oguchi, Physica B 383, 9 (2006).
21. A. Ciucivara, B. Sahu, and L. Kleinman, Phys. Rev. B 76, 064412 (2007).
22. K. Dewhurst, S. Sharma, L. Nordström, F. Cricchio, F. Bultmark, and H. Gross, ELK, version 1.2.20, a package of ab initio programs, 2011, see http://elk.sourceforge.net.
23. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
24. S. F. Matara, M. A. Subramanian, A. Villesuzanne, V. Eyert, and M.-H. Whangbo, J. Magn. Magn. Mater. 308, 116 (2007).
25. J. M. Rondinelli, A. S. Eidelson, and N. A. Spaldin, Phys. Rev. B 79, 205119 (2009).
26. S. Lv, H. Li, X. Liu, D. Han, Z. Wu, and J. Meng, J. Phys. Chem. C 114, 16710 (2010).
27. P. Kurz, G. Bihlmayer, and S. Blügel, J. Phys.: Condens. Matter 14, 6353 (2002).
28. A. H. Morrish, The Physical Principles of Magnetism (John Wiley & Sons, New York, London, Sydney, 1965).
29. P. Baettig, C. Ederer, and N. A. Spaldin, Phys. Rev. B 72, 214105 (2005).
30. T. Jia, H. Wu, G. Zhang, X. Zhang, Y. Guo, Z. Zeng, and H.-Q. Lin, Phys. Rev. B 83, 174433 (2011).
31. K. Momma and F. Izumi, VESTA, version 2.0.0, a three-dimensional visualization system for electronic and structural analysis, 2010, see http://www.geocities.jp/kmo-mma/crystal/en/vesta.html.
32. K. Momma and F. Izumi, J. Appl. Crystallogr. 41, 653 (2008).