Linear-response theory and lattice dynamics: A muffin-tin-orbital approach

Physical Review B - Condensed Matter and Materials Physics

Volumn 54, Issue 23, 1996, Pages 16470-16486

  Savrasov, S ^a  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000126892     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.54.16470     Document Type: Article

References (50)

1. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
2. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
3. For a review, see, also, Theory of the Inhomogeneous Electron Gas, edited by S. Lundqvist and S. H. March (Plenum, New York, 1983).
4. M. S. Hybersten and S. G. Louie, Phys. Rev. B 35, 5585 (1987).
5. M. S. Hybersten and S. G. Louie, Phys. Rev. B 35, 5606 (1987).
6. S. de Gironcoli, S. Baroni and R. Resta, Phys. Rev. Lett. 62, 2853 (1989).
7. P. Giannozzi, S. de Gironcoli, P. Pavone and S. Baroni, Phys. Rev. B 43, 7231 (1991).
8. D. Kh. Blat, N. E. Zein and V. I. Zinenko, J. Phys. Condens. Matter 3, 5515 (1991).
9. X. Gonze, D. C. Allan and M. P. Teter, Phys. Rev. Lett. 68, 3603 (1992).
10. R. Yu and H. Krakauer, Phys. Rev. B 49, 4467 (1994).
11. R. Bauer, O. Schütt, P. Pavone, W. Windl and D. Strauch, Phys. Rev. B 51, 210 (1995).
12. S. Y. Savrasov, Solid State Commun. 74, 69 (1990).
13. S. Y. Savrasov, Phys. Rev. Lett. 69, 2819 (1992).
14. N. E. Zein, Phys. Lett. A 161, 526 (1992).
15. A. A. Quong, B. M. Klein, Phys. Rev. B 46, 10t734 (1992).
16. S. Y. Savrasov, D. Y. Savrasov and O. K. Andersen, Phys. Rev. Lett. 72, 372 (1994).
17. S. Y. Savrasov and E. G. Maksimov, Usp. Fiz. Nauk 165, 773 (1995) [Sov. Phys. Usp. 38, 737 (1995)].
18. S. de Gironcoli, Phys. Rev. B 51, 6773 (1995).
19. S. Y. Savrasov and D. Y. Savrasov, following paper, Phys. Rev. B 54, 16t487 (1996).
20. H. Wendel and R. M. Martin, Phys. Rev. B 19, 5251 (1979).
21. K. Kunc and E. Tosatti, Phys. Rev. B 29, 7045 (1984).
22. S. Wei and M. Y. Chou, Phys. Rev. Lett. 69, 2799 (1992).
23. X. Gonze, Phys. Rev. A 52, 1096 (1995).
24. See, e.g., Ab Initio Calculations of Phonon Spectra, edited by J. T. Devreese, V. E. Doren, and P. E. Van Camp (Plenum, New York, 1983).
25. S. Baroni, P. Giannozzi and A. Testa, Phys. Rev. Lett. 58, 1861 (1987).
26. N. E. Zein, Fiz. Tverd. Tela (Leningrad) 26, 3024 (1984) [Sov. Phys. Solid State 26, 1825 (1984)].
27. R. M. Sternheimer, Phys. Rev. 96, 951 (1954).
28. R. M. Sternheimer, Phys. Rev. 107, 1565 (1957).
29. R. M. Sternheimer, Phys. Rev. 115, 1198 (1959).
30. O. K. Andersen, Phys. Rev. B 12, 3060 (1975).
31. P. Pulay, Mol. Phys. 17, 197 (1969).
32. S. Y. Savrasov and D. Y. Savrasov, Phys. Rev. B 46, 12t181 (1992).
33. A. Debernardi, S. Baroni and E. Molinari, Phys. Rev. Lett. 75, 1819 (1995).
34. M. Springborg and O. K. Andersen, J. Chem. Phys. 87, 7125 (1987).
35. K. H. Weyrich, Phys. Rev. B 37, 10t269 (1988).
36. J. Wills (unpublished).
37. M. Methfessel, Phys. Rev. B 38, 1537 (1988).
38. D. A. Varshalovich, A. N. Moskalev, and V. K. Khersonskii, Quantum Theory of Angular Momentum (World Scientific, Singapore, 1988).
39. M. Weinert, J. Math. Phys. 22, 2433 (1981).
40. O. Jepsen and O. K. Andersen, Phys. Rev. B 29, 5965 (1984).
41. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
42. P. Blochl, O. Jepsen and O. K. Andersen, Phys. Rev. B 49, 16t223 (1994).
43. H. L. Skriver and N. M. Rosengaard, Phys. Rev. B 46, 7157 (1992).
44. G. Dolling, in Inelastic Scattering of Neutrons in Solids and Liquids (IAEA, Vienna, 1963), Vol. II, p. 37;
45. G. Nillsson and G. Nelin, Phys. Rev. B 8, 5711 (1973).
46. U. von Barth and L. Hedin, J. Phys. C 5, 1629 (1972).
47. V. L. Moruzzi, J. F. Janak, and A. R. Williams, Calculated Electronic Properties of Metals (Pergamon, New York, 1978).
48. H. G. Smith and W. Gläser, in Proceedings of the International Conference on Phonons, edited by M. A. Nusimovici (Flammarion, Paris, 1971).
49. W. Weber, Phys. Rev. B 8, 5082 (1973).
50. S. Y. Savrasov and O. K. Andersen, Phys. Rev. Lett. (to be published).