Ab initio simulation of pressure-induced low-energy excitations in amorphous silicon
PHYSICAL REVIEW B, cilt.66, sa.15, 2002 (SCI-Expanded)
- 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.