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Phys. Rev. B 48, 3646–3653 (1993)

Theoretical study of Raman modes in high-pressure phases of Si, Ge, and Sn

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Steven P. Lewis and Marvin L. Cohen
Department of Physics, University of California, Berkeley, California 94720
Materials Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California 94720

Received 25 January 1993; published in the issue dated 1 August 1993

Results of an ab initio investigation of the pressure dependence of the Raman-active phonon modes in the β-Sn phase of Si, Ge, and Sn and the hexagonal-close-packed phase of Si are presented. The calculations are in very good agreement with experimental measurements. Both measurements and calculations show that the β-Sn-structure LO mode has a different pressure dependence for Ge than for Si. This difference between Si and Ge is discussed, and an explanation in terms of d electrons is given.

© 1993 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.48.3646
DOI:
10.1103/PhysRevB.48.3646
PACS:
62.50.+p, 63.20.-e