Full-potential spin-polarized relativistic Korringa-Kohn-Rostoker method implemented and applied to bcc Fe, fcc Co, and fcc Ni

Physical Review B - Condensed Matter and Materials Physics

Volumn 58, Issue 16, 1998, Pages 10236-10247

  Huhne, T ^a   Zecha, C ^a   Ebert, H ^a   Dederichs, P ^b   Zeller, R ^b  

^a UNIVERSITY OF MUNICH   (Germany)

^b FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001687539     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.58.10236     Document Type: Article

References (42)

1. J. Korringa, Physica (Amsterdam) XIII, 392 (1947).
2. W. Kohn and N. Rostoker, Phys. Rev. 94, 1111 (1953).
3. H. Bross and K. H. Anthony, Phys. Status Solidi 22, 667 (1967).
4. B. Drittler, M. Weinert, R. Zeller, and P. H. Dederichs, Solid State Commun. 79, 31 (1991).
5. B. Drittler, M. Weinert, R. Zeller, and P. H. Dederichs, in Application of Multiple Scattering Theory to Materials Science, edited by W. H. Butler, P. H. Dederichs, A. Gonis, and R. Weaver, MRS Symposia Proceedings No. 253 (Materials Research Society, Pittsburgh, 1992), p. 185.
6. P. H. Dederichs, B. Drittler, and R. Zeller, in Application of Multiple Scattering Theory to Materials Science (Ref. 5), p. 185.
7. N. Papanikolaou, R. Zeller, P. H. Dederichs, and N. Stefanou, Phys. Rev. B 55, 4157 (1997).
8. N. Papanikolaou, R. Zeller, P. H. Dederichs, and N. Stefanou, Comput. Mater. Sci. 8, 131 (1997).
9. E. Tamura, Phys. Rev. B 45, 3271 (1992).
10. X. Wang et. al Phys. Rev. B 46, 9352 (1993).
11. S. C. Lovatt, B. L. Gyorffy, and G.-Y. Guo, J. Phys.: Condens. Matter 5, 8005 (1993).
12. S. B. der Kellen and A. J. Freeman, Phys. Rev. B 54, 11 187 (1996).
13. M. Fluchtmann, M. Grass, J. Braun, and G. Borstel, Phys. Rev. B 52, 9564 (1995).
14. J. W. Krewer and R. Feder, Physica B 172, 135 (1991).
15. M. S. S. Brooks, Physica B 130, 6 (1985).
16. H. Ebert and M. Battocletti, Solid State Commun. 98, 785 (1996).
17. A. H. MacDonald and S. H. Vosko, J. Phys. C 12, 2977 (1979).
18. M. V. Ramana and A. K. Rajagopal, J. Phys. C 12, L845 (1979).
19. V. L. Moruzzi, J. F. Janak, and A. R. Williams, Calculated Electronic Properties of Metals (Pergamon, New York, 1978).
20. M. E. Rose, Relativistic Electron Theory (Wiley, New York, 1961).
21. A. P. Cracknell, J. Phys. C 2, 1425 (1969).
22. H. Ebert, P. Strange, and B. L. Gyorffy, J. Phys. F 18, L135 (1988).
23. O. Eriksson, B. Johansson, and M. S. S. Brooks, J. Phys.: Condens. Matter 1, 4005 (1989).
24. G. Vignale and M. Rasolt, Phys. Rev. Lett. 59, 2360 (1987).
25. G. Vignale and M. Rasolt, Phys. Rev. Lett. 62, 115 (1989).
26. G. Vignale, in Current Density Functional Theory and Orbital Magnetism, Vol. 337 of Nato Advanced Study Institute Series, Series B: Physics, edited by E. K. U. Gross and R. M. Dreizler (Plenum Press, New York, 1995), p. 485.
27. H. Ebert, M. Battocletti, and E. K. U. Gross, Europhys. Lett. 40, 545 (1997).
28. S. Doniach and C. Sommers, in Valence Fluctuations in Solids, edited by L. M. Falicov, W. Hanke, and M. B. Maple (North-Holland, Amsterdam, 1981), p. 349.
29. R. Feder, F. Rosicky, and B. Ackermann, Z. Phys. B 52, 31 (1983).
30. P. Strange, J. B. Staunton, and B. L. Gyorffy, J. Phys. C 17, 3355 (1984).
31. H. Ebert and B. L. Gyorffy, J. Phys. F 18, 451 (1988).
32. J. S. Faulkner and G. M. Stocks, Phys. Rev. B 21, 3222 (1980).
33. F. Calogero, Variable Phase Approach to Potential Scattering (Academic Press, New York, 1967).
34. R. Zeller et. al Phys. Rev. B 52, 8807 (1995).
35. W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling, The Art of Scientific Computing (Cambridge University Press, London, 1986).
36. P. Strange, H. Ebert, J. B. Staunton, and B. L. Gyorffy, J. Phys.: Condens. Matter 1, 2959 (1989).
37. A. P. Cracknell, Phys. Rev. B 1, 1261 (1970).
38. B. Drittler, M. Weinert, R. Zeller, and P. H. Dederichs, Phys. Rev. B 42, 9336 (1990).
39. O. Eriksson et. al Phys. Rev. B 41, 11 807 (1990).
40. J. Trygg, B. Johansson, O. Eriksson, and J. M. Wills, Phys. Rev. Lett. 75, 2871 (1995).
41. P. Bagno, O. Jepsen, and O. Gunnarsson, Phys. Rev. B 40, 1997 (1989).
42. D. J. Singh, W. E. Pickett, and H. Krakauer, Phys. Rev. B 43, 11 628 (1991).