Pressure-induced phase transformations in amorphous arsenic
JOURNAL OF NON-CRYSTALLINE SOLIDS, cilt.437, ss.6-9, 2016 (SCI-Expanded)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 437
- Basım Tarihi: 2016
- Doi Numarası: 10.1016/j.jnoncrysol.2016.01.014
- Dergi Adı: JOURNAL OF NON-CRYSTALLINE SOLIDS
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.6-9
- Abdullah Gül Üniversitesi Adresli: Evet
Özet
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.