High-pressure phases of amorphous and crystalline silicon


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Durandurdu M. , DRABOLD D.

PHYSICAL REVIEW B, cilt.67, 2003 (SCI İndekslerine Giren Dergi)

Özet

We study pressure-induced phase transitions in amorphous silicon and crystalline diamond silicon from Gibbs free energies considerations using ab initio total energy calculations. We predict a pressure-induced crystallization of the amorphous network at 2.5 GPa and a first order amorphous to amorphous phase transition at 9 GPa. Furthermore, we find a pressure-induced high density amorphization of crystalline diamond silicon around 15 GPa.