Ab initio study of phonons in the rutile structure of SnO2 under pressure

European Physical Journal B

Volumn 13, Issue 4, 2000, Pages 679-683

  Parlinski, K ^a,b   Kawazoe, Y ^b  

^a INSTITUTE OF NUCLEAR PHYSICS   (Poland)

^b TOHOKU UNIVERSITY   (Japan)

Author keywords

62.50,+p high pressure and shock wave effects in solids and liquids; 63.20. e Phonons in crystal lattices; 71.15.Mb density functional theory, local density approximation

Indexed keywords

EID: 0000307252     PISSN: 14346028     EISSN: None     Source Type: Journal    
DOI: 10.1007/s100510050085     Document Type: Article

References (29)

1. D.M. Teter, R.J. Hemley, G. Kresse, J. Hafner, Phys. Rev. Lett. 80, 2145 (1998).
2. Th. Demuth, Y. Jeanvoine, J. Hafner, J.G. Ángyán, J. Phys. Cond. Matter 11, 3833 (1999).
3. E. Knittle, R. Jeanloz, Science 251, 1438 (1991).
4. J. Haines, J.M. Légar, Phys. Rev. B 55, 11 444 (1997).
5. A.A. Bolzan, C. Fong, B.J. Kennedy, C.J. Howard, Acta Cryst. B 58, 373 (1997).
6. R.S. Katiyar, P. Dawson, M.M. Hargreave, G.R. Wilkinson, J. Phys. C 4, 2421 (1971).
7. P.S. Peercy, B. Morosin, Phys. Rev. 7, 2779 (1973).
8. M.E. Striefler, G.R. Barsch, Phys. Stat. Sol. B 67, 143 (1975).
9. J. Heines, J.M. Légar, O. Schulte, Science B 271, 629 (1996).
10. F. Gervais, W. Kress, Phys. Rev. B 31, 4809 (1985).
11. T. Sato, T. Asari, J. Phys. Soc. Jpn 64, 1193 (1995).
12. S. Baroni, P. Giannozzi, A. Testa, Phys. Rev. Lett. 58, 1861 (1987).
13. R. Resta, K. Kunc, Phys. Rev. B 34, 7146 (1986).
14. W. Frank, C. Elsässer, M. Fähnle, Phys. Rev. Lett. 74, 1791 (1995).
15. G. Kresse, J. Furthmüller, J. Hafner, Europhys. Lett. 32, 729 (1995).
16. G.J. Ackland, M.C. Warren, S.J. Clark, J. Phys.-Cond. Matter 9, 7861 (1997).
17. K. Parlinski, Z.Q. Li, Y. Kawazoe, Phys. Rev. Lett. 78, 4063 (1997).
18. J. Haines, J.M. Légar, C. Chateau, R. Bini, L. Ulivi, Phys. Rev. B 58, 1 (1998).
19. B.B. Karki, M.C. Warren, L. Stixrude, G.J. Ackland, J. Grain, Phys. Rev. B 55, 3465 (1997).
20. G. Kresse, J. Hafner, Phys. Rev. B 47, 558 (1993); ibid 49, 14 251 (1994).
21. G. Kresse, J. Hafner, Phys. Rev. B 47, 558 (1993); ibid 49, 14 251 (1994).
22. G. Kresse, J. Furhmüller, Software VASP, Vienna (1999); Phys. Rev. B 54, 11 169 (1996); Comput. Mat. Science 6, 15 (1996).
23. G. Kresse, J. Furhmüller, Software VASP, Vienna (1999); Phys. Rev. B 54, 11 169 (1996); Comput. Mat. Science 6, 15 (1996).
24. G. Kresse, J. Furhmüller, Software VASP, Vienna (1999); Phys. Rev. B 54, 11 169 (1996); Comput. Mat. Science 6, 15 (1996).
25. K. Parlinski, Software PHONON (1999).
26. 2M, API Conf. Proc. 479, edited by M.R. Johnson, G.J. Kearley, H.G. Büttner (Woodbury, New York, 1999), p. 121.
27. K. Parlinski, J. Łażewski, Y. Kawazoe, J. Phys. Chem. Solids 61, 87 (1999).
28. R.M. Pick, M.H. Cohen, R.M. Martin, Phys. Rev. B 1, 910 (1970); A.A. Maradudin, Elements of the Theory of Lattice Dynamics, in Dynamical Properties of Solids, edited by G.K. Horton, A.A. Maradudin, (North-Holland Publishing Company, Amsterdam, 1974), Vol. 1, p. 3.
29. R.M. Pick, M.H. Cohen, R.M. Martin, Phys. Rev. B 1, 910 (1970); A.A. Maradudin, Elements of the Theory of Lattice Dynamics, in Dynamical Properties of Solids, edited by G.K. Horton, A.A. Maradudin, (North-Holland Publishing Company, Amsterdam, 1974), Vol. 1, p. 3.