High-pressure phases of amorphous and crystalline silicon

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Durandurdu M. , DRABOLD D.

PHYSICAL REVIEW B, vol.67, no.21, 2003 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 67 Issue: 21
  • Publication Date: 2003
  • Doi Number: 10.1103/physrevb.67.212101
  • Title of Journal : PHYSICAL REVIEW B


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.