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, 2002 (SCI İndekslerine Giren Dergi) identifier identifier

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.