First-principles study of defects in CuGaO2

Chinese Physics Letters

Volumn 25, Issue 8, 2008, Pages 2997-3000

  Fang, Zhi Jie ^a,b   Fang, Cheng ^b   Shi, Li Jie ^b   Liu, Yong Hui ^b   He, Man Chao ^a  

^a CHINA UNIVERSITY OF MINING AND TECHNOLOGY   (China)

^b INSTITUTE OF SEMICONDUCTORS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COPPER; COPPER COMPOUNDS; ELECTRONIC STRUCTURE; TRANSPARENT CONDUCTING OXIDES;

CALCULATION RESULTS; CHARGE STATE; ELECTRONIC.STRUCTURE; EXTRINSIC DEFECTS; FIRST PRINCIPLE METHOD; FIRST-PRINCIPLE STUDY; INTRINSIC DEFECTS; OXYGEN INTERSTITIALS; STRUCTURE DEFECTS; TRANSPARENT CONDUCTING OXIDE;

GALLIUM COMPOUNDS;

EID: 49749104246     PISSN: 0256307X     EISSN: 17413540     Source Type: Journal    
DOI: 10.1088/0256-307X/25/8/071     Document Type: Article

References (23)

1. Lewis B G and Pannine D C 2000 MRS Bull. 20 22
2. Kawazoe H et al 1997 Nature 389 939
3. Nie X et al 2002 Phys. Rev. Lett. 88 066405
4. Yanagi H et al 2000 J. Appl. Phys. V 88 4159
5. Yanagi H et al 2000 J. Electroceram. 4 427
6. Katayama Y H et al 2003 Solid State Commun. 126 135
7. Koyanagi T et al 2003 J. Phys. Chem. Solid. 64 144
8. Ueda K et al 2001 J. Appl. Phys. 89 1790
9. Yanagi H et al 2001 Appl. Phys. Lett. 78 1583
10. Yanagi H et al 2002 Solid State Commun. 121 15
11. Pellicer P J et al 2004 Phys. Rev. B 69 024109
12. Varadarajan V et al 2006 Appl. Phys. A 85 117
13. Hohenberg P and Kohn W 1964 Phys. Rev. B 136 864
14. Kohn W and Sham L J 1965 Phys. Rev. A 140 1133
15. Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11169
16. Kresse G et al 1996 Comput. Mater. Sci. 6 15
17. Blöchl P E 1994 Phys. Rev. B 50 17953
18. Kresse G and Joubert J 1999 Phys. Rev. B 59 1758
19. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
20. Pack J D and Monkhorst H J 1977 Phys. Rev. B 16 1748
21. Zhang S B, Wei S H, Zunger A and Katayama Y H 1998 Phys. Rev. B 57 964
22. Murnaghan F D 1944 Natl. Acad. Sci. U.S.A. 30 244
23. Koehler B U and Jansen M Z 1986 Anorg. Allg. Chem. 543 73