Cohesive properties of the lanthanides: Effect of generalized gradient corrections and crystal structure

Physical Review B - Condensed Matter and Materials Physics

Volumn 58, Issue 8, 1998, Pages 4345-4351

  Delin, Anna ^a   Fast, Lars ^a   Johansson, Börje ^a   Eriksson, Olle ^b   Wills, J ^b  

^a UPPSALA UNIVERSITY   (Sweden)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002171322     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.58.4345     Document Type: Article

References (46)

1. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
2. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
3. J. P. Perdew, in Electronic Structure of Solids 1991, edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin, 1991), Vol. 11;see also http://camchem.rutgers.edu/(Formula presented)kieron/dft_pubs.html
4. A. Dal Corso, A. Pasquarello, A. Baldereschi, and R. Car, Phys. Rev. B 53, 1180 (1996).
5. Phys. Rev. BJ. P. Perdew et. al 46, 6671 (1992).
6. Phys. Rev. BM. Körling and J. Häglund, 45, 13 293 (1992).
7. Phys. Rev. BP. Söderlind, O. Eriksson, B. Johansson, and J. M. Wills, 50, 7291 (1994).
8. Phys. Rev. BP. Söderlind, B. Johansson, and O. Eriksson, 52, 1631 (1995).
9. Phys. Rev. BR. Ahuja et. al 50, 11 183 (1994).
10. Phys. Rev. BA. Khein, D. J. Singh, and C. J. Umrigar, 51, 4105 (1995).
11. V. Ozoliņš and M. Körling, Phys. Rev. B 48, 18 304 (1993).
12. L. Hedin and B. I. Lundqvist, J. Phys. C 4, 2064 (1971).
13. J. Phys. CU. von Barth and L. Hedin, 5, 1629 (1972).
14. H. Skriver, in Systematics and the Properties of the Lanthanides, edited by S. P. Sinha (Reidel, Dordrecht, 1983), p. 213.
15. B. I. Min, H. J. F. Jansen, T. Oguchi, and A. J. Freeman, J. Magn. Magn. Mater. 61, 139 (1986).
16. O. Eriksson, M. S. S. Brooks, and B. Johansson, J. Less-Common Met. 158, 207 (1990).
17. J. Melsen, J. M. Wills, B. Johansson, and O. Eriksson, J. Alloys Compd. 209, 15 (1994).
18. B. Johansson and A. Rosengren, Phys. Rev. B 11, 2836 (1975).
19. J. C. Duthie and D. G. Pettifor, Phys. Rev. Lett. 38, 564 (1977).
20. B. Johansson and M. S. S. Brooks, in Handbook on the Physics and Chemistry of the Rare Earths, edited by K. A. Gschneidner, Jr., L. Eyring, G. H. Lander, and G. R. Choppin (North-Holland, Amsterdam, 1993), Vol. 17, Chap. 112, p. 149.
21. K. A. Gschneidner, Jr., Bull. Alloy Phase Diagrams 11, 216 (1990).
22. B. Johansson, Philos. Mag. 30, 469 (1974).
23. J. W. Allen and R. M. Martin, Phys. Rev. Lett. 49, 1106 (1982).
24. J. W. Allen and L. Z. Liu, Phys. Rev. B 46, 5047 (1992).
25. A. Svane, Phys. Rev. Lett. 72, 1248 (1994).
26. Phys. Rev. Lett.Z. Szotek, W.M. Temmerman, and H. Winter, 72, 1244 (1994).
27. Phys. Rev. Lett.B. Johansson et. al 74, 2335 (1995).
28. Phys. Rev. Lett.J. M. Wills, O. Eriksson, and A. M. Boring, 67, 2215 (1991).
29. Phys. Rev. Lett.A. M. Boring, R. C. Albers, O. Eriksson, and D. D. Koelling, 68, 2652 (1992).
30. See, e.g., Systematics and the Properties of the Lanthanides, edited by S. P Sinha (Reidel, Dordrecht, 1983).
31. B. Johansson and P. Munck, J. Less-Common Met. 100, 49 (1984).
32. B. Johansson, Phys. Rev. B 20, 1315 (1979).
33. J. M. Wills (unpublished).
34. J. M. Wills and B. R. Cooper, Phys. Rev. B 36, 3809 (1987).
35. Phys. Rev. BD. L. Price and B. R. Cooper, 39, 4945 (1989).
36. O. K. Andersen, Phys. Rev. B 12, 3060 (1975); H. L. Skriver The LMTO Method (Springer, Berlin, 1984).
37. D. J. Chadi and M. L. Cohen, Phys. Rev. B 8, 5747 (1973).
38. S. Froyen, Phys. Rev. B 39, 3168 (1989).
39. P. Vinet, J. Ferrante, J. R. Smith, and J. H. Rose, J. Phys. C 19, L467 (1986).
40. P. Vinet, J. H. Rose, J. Ferrante, and J. R. Smith, J. Phys.: Condens. Matter 1, 1941 (1989).
41. F. Birch, Phys. Rev. 71, 809 (1947).
42. F. D. Murnaghan, Proc. Natl. Acad. Sci. USA 30, 244 (1944).
43. W. A. Grosshans and W. B. Holzapfel, Phys. Rev. B 45, 5171 (1992).
44. N. W. Ashcroft and D. N. Mermin, Solid State Physics (Saunders College, Philadelphia, 1976), p. 492.
45. M. S. S. Brooks, O. Eriksson, J. M. Wills, and B. Johansson, Phys. Rev. Lett. 79, 2546 (1997).
46. C. Kittel, Introduction to Solid State Physics (Wiley, New York, 1976).