Pressure-induced phase transformations in amorphous arsenic


DURANDURDU M.

JOURNAL OF NON-CRYSTALLINE SOLIDS, vol.437, pp.6-9, 2016 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 437
  • Publication Date: 2016
  • Doi Number: 10.1016/j.jnoncrysol.2016.01.014
  • Title of Journal : JOURNAL OF NON-CRYSTALLINE SOLIDS
  • Page Numbers: pp.6-9

Abstract

The atomic structure of amorphous arsenic and its response to high pressure are explored using a constant pressure ab initio molecular dynamics technique. Different analyzing techniques reveal that amorphous arsenic has a local structure close to that of the crystalline phase. The model also presents some twofold and fourfold coordination defects. The existence of a possible amorphous to amorphous phase transition for arsenic is proposed on the bases of the observation of a gradual coordination increase with the application of pressure. Further compression of the amorphous state yields a transformation into a simple cubic crystal. (C) 2016 Elsevier B.V. All rights reserved.