High-density amorphous phase of GeS2 glass under pressure


Durandurdu M.

PHYSICAL REVIEW B, vol.79, no.20, 2009 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 79 Issue: 20
  • Publication Date: 2009
  • Doi Number: 10.1103/physrevb.79.205202
  • Title of Journal : PHYSICAL REVIEW B

Abstract

The pressure-induced phase transition in amorphous germanium disulfide (a-GeS2) is studied using an ab initio constant-pressure technique. With the application of hydrostatic pressure, a-GeS2 undergoes a gradual phase transition from a semiconducting low-density amorphous state to a metallic high-density amorphous state. The transition is associated with a local coordination change in both the Ge atoms and S atoms. Upon pressure release, the high-density phase transforms back to a low-density amorphous state. The physical origin of the gradual phase transformation is discussed. The pressure-induced changes in the electronic and vibrational properties are studied with details. Additionally the pressure-induced phase transition of the monoclinic GeS2 is compared with that of amorphous state.