The full potential Korringa-Kohn-Rostoker method and its application in electric field gradient calculations

Journal of Physics Condensed Matter

Volumn 17, Issue 37, 2005, Pages 5741-5755

  Ogura, M ^a   Akai, H ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CADMIUM; ELECTRIC CHARGE; ELECTRIC FIELDS; RELIABILITY; ZINC;

ELECTRIC FIELD GRADIENT (EFG); EXPERIMENTAL DATA; KORRINGA-KOHN-ROSTOKER (KKR) GREEN FUNCTION METHOD; WAVEFUNCTIONS;

GREEN'S FUNCTION;

EID: 24644477130     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/17/37/011     Document Type: Article

References (25)

1. Schwarz K and Blaha P 1996 Lecture Notes Chem. 67 139
2. Akai H, Akai M, Blügel S, Drittler B, Ebert H, Terakura K, Zeller R and Dederichs P H 1990 Prog. Theor. Phys. Suppl. 101 11
3. Akai H 1982 J. Phys. Soc. Japan 51 468
4. Drittler B, Weinert M, Zeller R and Dederichs P H 1990 Phys. Rev. B 42 9336
5. Drittler B, Weinert M, Zeller R and Dederichs P H 1991 Solid State Commun. 79 31
6. Zeller R 1987 J. Phys. C: Solid State Phys. 20 2347
7. Williams A R, Janak J F and Moruzzi V L 1972 Phys. Rev. B 6 4509
8. Newton R G 1960 J. Math. Phys. 1 319
9. Kotani T and Akai H 1996 Phys. Rev. B 54 16502
10. Moruzzi V L, Janak J F and Williams A R 1978 Calculated Electronic Properties of Metals (Oxford: Pergamon)
11. Wyckoff R W G 1963 Crystal Structures 2nd edn (New York: Interscience)
12. Koelling D D and Harmon B N 1977 J. Phys. C: Solid State Phys. 10 3107
13. Takeda T 1978 Z. Phys. B 32 43
14. Vianden R 1983 Hyperfine Interact. 15/16 1081
15. Ebert H, Abart J and Voitländer J 1986 J. Phys. F: Met. Phys. 16 1287
16. Blaha P, Schwarz K and Dederichs P H 1988 Phys. Rev. B 37 2792
17. Huhne T, Zecha C, Ebert H, Dederichs P H and Zeller R 1988 Phys. Rev. B 58 10236
18. Pyykkö P 2001 Mol. Phys. 99 1617
19. Raghavan P 1989 At. Data Nucl. Data Tables 42 189
20. Haas H, Menningen M, Andreasen H, Damgaard S, Grann H, Petersen F T, Petersen J W and Weyer G (ISOLDE Collaboration) 1983 Hyperfine Interact. 15/16 215
21. Haas H 1986 Z. Naturf. a 41 78
22. Lindgren B 1986 Phys. Rev. B 34 648
23. Schmidt P C, Weiss Al, Cabus S and Kübler J 1988 Z. Naturf. a 42 1321
24. Papanikolaou N, Zeller R, Dederichs P H and Stefanou N 1997 Phys. Rev. B 55 4157
25. Ogura M and Akai H 2005 Hyperfine Interact. at press