Theoretical study of the vibrational modes and their pressure dependence in the pure clathrate-II silicon framework

Physical Review B - Condensed Matter and Materials Physics

Volumn 60, Issue 2, 1999, Pages 950-958

  Dong, Jianjun ^a   Sankey, Otto F ^a   Kern, Georg ^b  

^a ARIZONA STATE UNIVERSITY   (United States)

^b VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000057853     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.60.950     Document Type: Article

References (28)

1. J.S. Kasper, P. Hagenmuller, M. Pouchard, and C. Cros, Science. 150, 1713 (1965).
2. C. Cros, M. Pouchard, and P. Hagenmuller, C. R. Hebd. Seances Acad. Sci. 260, 4764 (1965).
3. A.A. Demkov, W. Windl, and O.F. Sankey, Phys. Rev. B. 53, 11 288 (1996).
4. H. Kawaji, H. Horie, S. Yamanaka, and M. Ishikawa, Phys. Rev. Lett. 74, 1427 (1995).
5. G.B. Adams, M. O’Keeffe, A.A. Demkov, O.F. Sankey, and Y. Huang, Phys. Rev. B. 49, 8048 (1994).
6. A.A. Demkov, O.F. Sankey, K.E. Schmidt, G.B. Adams, and M. O’Keeffe, Phys. Rev. B. 50, 17 001 (1994)
7. S. Saito and A. Oshiyama, Phys. Rev. B. 51, 2628 (1995)
8. V.I. Smelyansky, and J.S. Tse, Chem. Phys. Lett. 264, 459 (1997).
9. G.A. Slack, in Thermoelectric Materials — New Directions and Approaches, edited by T.M. Tritt, M.G. Kanatzidiz, H.B. Lyon, Jr., and G.D. Mahan, MRS Symposia Proceedings, No. 478 (Materials Research Society, Pittsburgh, 1997), p. 47.
10. G.S. Nolas, J.L. Cohen, G.A. Slack, and S.B. Schujman, Appl. Phys. Lett. 73, 178 (1998).
11. Y. Guyot, B. Champagnon, E. Reny, C. Cros, M. Pouchard, P. Melinon, A. Perez, and I. Gregora, Phys. Rev. B. 57, 9475 (1997).
12. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996).
13. G. Kresse and J. Hafner, Phys. Rev. B. 47, 558 (1993)
14. Phys. Rev. B, G. Kresse and J.J. Furthmüller, 54, 11 169 (1996).
15. D. Vanderbilt, Phys. Rev. B. 41, 7892 (1990)
16. Phys. Rev. B, K. Laasonen, R. Car, C. Lee, and D. Vanderbilt, 43, 6796 (1991)
17. Phys. Rev. B, K. Laasonen, A. Pasquarello, R. Car, C. Lee, and D. Vanderbilt, 47, 10 142 (1993).
18. G. Kresse and J. Hafner, J. Phys.: Condens. Matter. 6, 8245 (1994)
19. G. Kresse and J. Hafner, Phys. Rev. B. 48, 13 115 (1993).
20. D.M. Ceperley and B.J. Alder, Phys. Rev. Lett. 45, 566 (1980).
21. H.J. Monkhorst and J.D. Pack, Phys. Rev. B. 13, 5188 (1976).
22. F. Birch, J. Geophys. Res. 57, 227 (1952).
23. J.P. Perdew, Electron Structure of Solids’91, edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin, 1991), p. 11.
24. W.G. Fateley, F.R. Dollish, N.T. McDevitt, and F.F. Bently, Infared and Raman Selection Rules for Molecular and Lattice Vibrations: The Correlation Method (Wiley-Interscience, New York, 1972).
25. M. Menon, E. Richter, and K.R. Subbaswamy, Phys. Rev. B. 56, 12 290 (1997).
26. D. Kahn and J.P. Lu, Phys. Rev. B. 56, 13 898 (1997).
27. S. Go, H. Bilz and M. Cardona, Phys. Rev. Lett. 34, 121 (1975).
28. D.W. Snoke and M. Cardona, Solid State Commun. 87, 121 (1993).