Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1480345 | Journal of Non-Crystalline Solids | 2016 | 4 Pages |
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.
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
Murat Durandurdu,