Ab initio simulation of pressure-induced low-energy excitations in amorphous silicon

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Durandurdu M., DRABOLD D.

PHYSICAL REVIEW B, vol.66, no.15, 2002 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 66 Issue: 15
  • Publication Date: 2002
  • Doi Number: 10.1103/physrevb.66.155205
  • Journal Name: PHYSICAL REVIEW B
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Abdullah Gül University Affiliated: No

Abstract

We study the pressure dependence of vibrational spectrum of amorphous silicon using an ab initio constant pressure relaxation simulation. With the application of pressure the low-energy modes soften and their acousticlike character decreases. On the other hand, high-frequency modes shift toward the higher energies, and the localized spectral tail modes become extended under pressure.