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

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Durandurdu M., DRABOLD D.

PHYSICAL REVIEW B, cilt.66, sa.15, 2002 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 66 Sayı: 15
  • Basım Tarihi: 2002
  • Doi Numarası: 10.1103/physrevb.66.155205
  • Dergi Adı: PHYSICAL REVIEW B
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Abdullah Gül Üniversitesi Adresli: Hayır

Özet

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.