First-principles calculations of Mössbauer hyperfine parameters for solids and large molecules

Hyperfine Interactions

Volumn 113, Issue 1-4, 1998, Pages 25-36

  Guenzburger, Diana ^a   Ellis, D E ^b   Zeng, Z ^c  

^a CENTRO BRASILEIRO DE PESQUISAS FÍSICAS   (Brazil)

^b NORTHWESTERN UNIVERSITY   (United States)

^c INSTITUTE OF SOLID STATE PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 2142705583     PISSN: 03043843     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (23)

1. R.G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).
2. R.O. Jones and O. Gunnarsson, Rev. Mod. Phys. 61 (1989) 689.
3. D.E. Ellis, Int. J. Quant. Chem. S2 (1968) 35; D.E. Ellis and G.S. Painter, Phys. Rev. B 2 (1970) 2887.
4. D.E. Ellis, Int. J. Quant. Chem. S2 (1968) 35; D.E. Ellis and G.S. Painter, Phys. Rev. B 2 (1970) 2887.
5. W. Kohn and L.J. Sham, Phys. Rev. 140 (1965) A1133.
6. U. von Barth and L. Hedin, J. Phys. C 5 (1972) 1629.
7. B. Delley and D.E. Ellis, J. Chem. Phys. 76 (1982) 1949.
8. N.N. Greenwood and R.C. Gibb, Mössbauer Spectroscopy (Chapman and Hall, London, 1971).
9. J. Terra and D. Guenzburger, J. Phys. Chem. 99 (1995) 4935.
10. P. Dufek, P. Blaha and K. Schwarz, Phys. Rev. Lett. 75 (1995) 3545.
11. W. Keune, T. Ezawa, W.A.A. Macedo, U. Glos and K.P. Schletz, Physica B 161 (1989) 269.
12. C.S. Wang, B.M. Klein and H. Krakauer, Phys. Rev. Lett. 54 (1985) 1852.
13. D. Guenzburger and D.E. Ellis, Phys. Rev. B 51 (1995) 12519.
14. D. Guenzburger and D.E. Ellis, Phys. Rev. B 52 (1995) 13390.
15. S. Pizzini, A. Fontaine, C. Georgetti, E. Dartyge, J.-F. Bobo, M. Piecuch and F. Baudelet, Phys. Rev. Lett. 74 (1995) 1470, and references therein.
16. B.K. Cho, P.C. Caulfield and D.C. Johnston, Phys. Rev. B 52 (1995) R3844, and references therein.
17. Z. Zeng, D. Guenzburger, D.E. Ellis and E.M.B. Saitovitch, Physica C 271 (1996) 23.
18. Z. Zeng, D.R. Sánchez, D. Guenzburger, D.E. Ellis, E.M.B. Saitovitch and H. Micklitz, Phys. Rev. B 55 (1997) 3087.
19. D.D. Awschalom and D.P. DiVincenzo, Phys. Today 48 (1995) 43.
20. G.C. Papaefthymiou, Phys. Rev. B46 (1992) 10366.
21. Z. Zeng, Y. Duan and D. Guenzburger, Phys. Rev. B 55 (1997) 12522.
22. K.L. Taft, C.D. Delfs, G.G. Papaefthymiou, S. Foner, D. Gatteschi and S. Lippard, J. Am. Chem. Soc. 116 (1994) 823.
23. S.M. Gorun, G.C. Papaefthymiou, R.B. Frankel and S.J. Lippard, J. Am. Chem. Soc. 109 (1987) 3337.