First-principles investigation of Ge doping effects on the structural, electronic and magnetic properties in antiperovskite Mn3CuN

Journal of Physics Condensed Matter

Volumn 22, Issue 20, 2010, Pages

  Hua, L ^a   Wang, L ^a   Chen, L F ^a  

^a NANJING NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIFERROMAGNETIC STATE; ANTIPEROVSKITE; CUBIC CRYSTAL; DENSITY OF STATE; ELECTRONIC AND MAGNETIC PROPERTIES; FERROMAGNETIC STATE; FIRST-PRINCIPLES; FIRST-PRINCIPLES INVESTIGATIONS; GE-DOPING; GENERALIZED GRADIENT APPROXIMATIONS; MAGNETIC TRANSITIONS; METALLIC GROUND STATE; TETRAGONAL CRYSTALS; UNIT-CELL VOLUME;

ANTIFERROMAGNETISM; CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; GERMANIUM; LANTHANUM COMPOUNDS; MAGNETIC PROPERTIES; MANGANESE; STRONTIUM COMPOUNDS;

CRYSTAL STRUCTURE;

EID: 79851498526     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/22/20/206003     Document Type: Article

References (28)

1. Sleight A W 1998 Inorg. Chem. 37 2854
2. Evans J S O 1999 J. Chem. Soc. Dalton Trans. 3317
3. Barrera G D, Bruno J A O, Barron T H K and Allan N L 2005 J. Phys.: Condens. Matter 17 R217
4. Sakamoto A, Matano T and Takeuchi H 2000 IEICE Trans. Electron. E83C 1441
5. Kintaka K, Nishii J, Kawamoto Y, Sakamoto A and Kazansky P G 2002 Opt. Lett. 27 1394
6. Guillaume C E 1897 C. R. Acad. Sci., Paris 125 235
7. Fruchart D and Bertaut E F 1978 J. Phys. Soc. Japan 44 781
8. l'Heritier Ph, Boursier D, Fruchart R and Fruchart D 1979 Mater. Res. Bull. 14 1203
9. Fruchart R, Madar R, Barberon M, Fruchart E and Lorthioir M G 1971 J. Physique 32 982
10. Fruchart D, Bertaut E F, Madar R, Lorthioir G and Fruchart R 1971 Solid State Commun. 9 1793
11. Takenaka K and Takagi H 2005 Appl. Phys. Lett. 87 261902
12. Cross L E 1994 Ferroelectrics 151 305
13. Kimura T, Tomioka Y, Kumai R, Okimoto Y and Tokura Y 1999 Phys. Rev. Lett. 83 3940
14. Iikubo S, Kodama K, Takenaka K, Takagi H and Shamoto S 2008 Phys. Rev. B 77 020409
15. Kresse G and Hafner J 1993 Phys. Rev. B 47 R558
16. Kresse G and Hafner J 1994 Phys. Rev. B 49 14251
17. Kresse G and Furthmller J 1996 Comput. Mater. Sci. 6 15
18. Kresse G and Furthmller J 1996 Phys. Rev. B 54 11169
19. Kresse G and Joubert D 1999 Phys. Rev. B 59 1758
20. Blöchl P E 1994 Phys. Rev. B 50 17953
21. Perdew J P and Wang Y 1992 Phys. Rev. B 45 13244
22. Anisimov V I, Zaanen J and Andersen O K 1991 Phys. Rev. B 44 943
23. Rohrbach A, Hafner J and Kresse G 2003 J. Phys.: Condens. Matter 15 979
24. Liechtenstein A I, Anisimov V I and Zaanen J 1995 Phys. Rev. B 52 R5467
25. Dudarev S L, Botton G A, Savrasov S Y, Humphreys C J and Stutton A P 1998 Phys. Rev. B 57 1505
26. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
27. Chi E O, Kim W S and Hur N H 2001 Solid State Commun. 120 307-10
28. Goodenough J B 1963 Magnetism and the Chemical Bond (New York: Interscience)