Microscopical calculations of lattice dynamics of ionic crystals and its dependence on the pressure

Solid State Communications

Volumn 101, Issue 6, 1997, Pages 393-396

  Maksimov, E G ^a   Shport, D A ^a   Ivanov, O V ^a,b  

^a LEBEDEV PHYSICAL INSTITUTE   (Russian Federation)

^b MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; CRYSTAL MICROSTRUCTURE; PHONONS; PRESSURE EFFECTS; RAMAN SCATTERING; SCANDIUM COMPOUNDS;

FROZEN PHONON METHOD; GORDON KIM METHOD; IONIC CRYSTALS; RAMAN ACTIVE PHONON MODES;

LATTICE VIBRATIONS;

EID: 0031076809     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0038-1098(96)00678-3     Document Type: Article

References (23)

1. Bilz, H. and Kress, W., Phonon Relations in Insulators, vol. 10, ed. M. Cardona and P. Fulde, Springer Series in Solid State Sciencies. Springer Verlag, Berlin, 1979.
2. Biltz, H., Gliss, B. and Hanke, W., Theory of phonons in Ionic Crystals in Dynamical Properties of Solids Vol. 1, p. 345, ed. G.K. Norton and A.A. Maradudin. North-Holland, Amsterdam, 1974.
3. Ab Initio Calculations of Phonon Spectra, ed. J.T. Devreese, V.E. Van Doren and D.E. Van Camp. Plenum, New York, 1983.
4. Zein, N.E., Sov. Phys. Solid State, 26, 1825 (1984); Baroni, S., Gianozzi, P. and Resta, A., Phys. Rev. Lett., 58, 1861 (1987); Savrasov, S.Y., Phys. Rev. Lett., 69, 2819 (1992).
5. Zein, N.E., Sov. Phys. Solid State, 26, 1825 (1984); Baroni, S., Gianozzi, P. and Resta, A., Phys. Rev. Lett., 58, 1861 (1987); Savrasov, S.Y., Phys. Rev. Lett., 69, 2819 (1992).
6. Zein, N.E., Sov. Phys. Solid State, 26, 1825 (1984); Baroni, S., Gianozzi, P. and Resta, A., Phys. Rev. Lett., 58, 1861 (1987); Savrasov, S.Y., Phys. Rev. Lett., 69, 2819 (1992).
7. Sternheimer, R.M., Phys. Rev. 96, 951 (1954), idid., 107, 1565 (1957), idid. 115, 1198 (1954).
8. Sternheimer, R.M., Phys. Rev. 96, 951 (1954), idid., 107, 1565 (1957), idid. 115, 1198 (1954).
9. Sternheimer, R.M., Phys. Rev. 96, 951 (1954), idid., 107, 1565 (1957), idid. 115, 1198 (1954).
10. See, e.s. Gianozzi, P., Gironcoli, S., Pavone, P. and Baroni, S., Phys. Rev. B 43, 7231 (1991); Blat, D.K., Zein, N.E. and Fedorov, A.S., Phys. Lett. A, 164, 115 (1992).
11. See, e.s. Gianozzi, P., Gironcoli, S., Pavone, P. and Baroni, S., Phys. Rev. B 43, 7231 (1991); Blat, D.K., Zein, N.E. and Fedorov, A.S., Phys. Lett. A, 164, 115 (1992).
12. Kim, Y.S. and Gordon, R.G., Phys. Rev. B, 9, 3548 (1974).
13. Muhlhausen, C.M. and Gordon, R.G., Phys. Rev. B, 23, 900 (1981).
14. Ivanov, O.V. and Maksimov, E.G., Sov.Phys. JETP, 81, 1008 (1995).
15. Ivanov, O.V. and Maksimov, E.G., Solid State Comm., 97, 163 (1996).
16. Francisco, E. et al., Phys. Rev. B, 51, 2703 (1995).
17. Ivanov, O.V. POSIM user's guide, 1995 (unpublished).
18. Ivanov, O.V. and Maksimov, E.G., Phys. Rev. Lett., 69, 268 (1992).
19. Ivanov, O.V. and Maksimov, E.G., Solid State Commun., 81, 69 (1992).
20. Bogachev, G.G., Iliev, M.N. and Petrov, V., Phys. Stat. Sol., (b), 152 ,K29 (1989)
21. Iliev, M.N. privite communication
22. Acta Cryst. (1998) C44, 1505-1507
23. Polet, H. and Mathieu, J.-M., Spectres de vibration et symmetrie cristeaux, Gordon and Breach, Paris/London/New York 1970.