Electronic structures of MnP-based crystals: LaMnOP, BaMn2P 2, and KMnP

Materials Science and Engineering: B

Volumn 173, Issue 1-3, 2010, Pages 239-243

  Kamiya, Toshio ^a   Yanagi, Hiroshi ^a   Watanabe, Takumi ^a   Hirano, Masahiro ^a   Hosono, Hideo ^a  

^a TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

Defects; Density functional theory; Layered mixed anion compounds; LDA + U GGA + U; Magnetic ordering; MnP

Indexed keywords

ELECTRONIC STRUCTURE; FERROMAGNETIC MATERIALS; FERROMAGNETISM; LANTHANUM COMPOUNDS; MANGANESE COMPOUNDS; POINT DEFECTS; POTASSIUM COMPOUNDS;

DENSITY-FUNCTIONAL-THEORY; ELECTRONIC.STRUCTURE; FERROMAGNETICS; GENERALIZED GRADIENT APPROXIMATIONS; INTER-LAYERS; LAYERED MIXED-ANION COMPOUND; LDA + U; LDA + U/GENERALIZED GRADIENT APPROXIMATION + U; MIXED-ANION COMPOUNDS; SPIN INTERACTION;

DENSITY FUNCTIONAL THEORY;

EID: 77956265237     PISSN: 09215107     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.mseb.2010.02.007     Document Type: Conference Paper

References (28)

1. K. Ueda, S. Inoue, S. Hirose, H. Kawazoe, and H. Hosono Appl. Phys. Lett. 77 2000 2701
2. K. Ueda, and H. Hosono J. Appl. Phys. 91 2002 4768
3. H. Hiramatsu, K. Ueda, H. Ohta, M. Hirano, T. Kamiya, and H. Hosono Appl. Phys. Lett. 82 2003 1048
4. H. Hiramatsu, K. Ueda, H. Ohta, M. Hirano, M. Kikuchi, H. Yanagi, T. Kamiya, and H. Hosono Appl. Phys. Lett. 91 2007 012104
5. H. Yanagi, R. Kawamura, T. Kamiya, Y. Kamihara, M. Hirano, T. Nakamura, H. Osawa, and H. Hosono Phys. Rev. B 77 2008 224431
6. Y. Kamihara, H. Hiramatsu, M. Hirano, R. Kawamura, H. Yanagi, T. Kamiya, and H. Hosono J. Am. Chem. Soc. (Communication) 128 2006 10012
7. T. Watanabe, H. Yanagi, T. Kamiya, Y. Kamihara, H. Hiramatsu, M. Hirano, and H. Hosono Inorg. Chem. 46 2007 7719
8. Y. Kamihara, T. Watanabe, M. Hirano, and H. Hosono J. Am. Chem. Soc. 130 2008 3296
9. H. Yanagi, T. Watanabe, K. Kodama, S. Iikubo, S. Shamoto, T. Kamiya, M. Hirano, and H. Hosono J. Appl. Phys. 105 2009 093936
10. K. Kayanuma, H. Hiramatsu, T. Kamiya, M. Hirano, and H. Hosono J. Appl. Phys. 105 2009 073903
11. C.d.l. Cruz, Q. Huang, J.W. Lynn, J. Li, W. Ratcliff II, J.L. Zarestky, H.A. Mook, G.F. Chen, J.L. Luo, N.L. Wang, and P. Dai Nature 453 2008 899
12. S.L. Brock, J.E. Greedan, and S.M. Kauzlarich J. Solid State Chem. 113 1994 303
13. E. Schucht, A. Dascoulidou, R. Müller, W. Jung, H.-U. Schuster, W. Bronger, and P. Müller Z. Anorg. Allg. Chem. 625 1999 31
14. C.C. Becerra, Y. Shapira, N.F. Oliveira Jr., and T.S. Chang Phys. Rev. Lett. 44 1980 1692
15. K. Yamada, Y. Todate, Y. Endoh, Y. Ishikawa, P. Böni, and G. Shrane J. Appl. Phys. 61 1987 3400
16. H. Yanagi, K. Fukuma, T. Kamiya, M. Hirano, and H. Hosono Mater. Sci. Eng. B 173 2010 47 50
17. G. Kresse, and J. Furthmuller Phys. Rev. B 54 1996 11169
18. P.E. Blöchl Phys. Rev. B 50 1994 17953
19. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758
20. T. Kamiya, K. Nomura, and H. Hosono Phys. Status Solidi A 206 2009 860
21. S.L. Dudarev, G.A. Botton, S.Y. Savrasov, C.J. Humphreys, and A.P. Sutton Phys. Rev. B 57 1998 1505
22. K. Ueda, H. Hosono, and N. Hamada J. Phys.:Condens. Matter 16 2004 5179
23. E.E. Huber Jr., and D.H. Ridgley J. Appl. Phys. 34 1963 1099
24. T. Kamiya, K. Ueda, H. Hiramtsu, H. Ohta, M. Hirano, and H. Hosono Mater. Res. Soc. Symp. Proc. 811 2004 E.4.10.1
25. A.S. Foster, F.L. Gejo, A.L. Shluger, and R.M. Nieminen Phys. Rev. B 65 2002 174117
26. P. Erhart, A. Klein, and K. Albe Phys. Rev. B 72 2005 085213
27. A. Janotti, and C.G. Van de Walle Phys. Rev. B 76 2007 165202
28. T. Kamiya, K. Nomura, and H. Hosono J. Display Technol. 5 2009 273