Durandurdu, Murat2025-09-252025-09-2520160022-30931873-4812https://doi.org/10.1016/j.jnoncrysol.2016.01.014https://hdl.handle.net/20.500.12573/4471Durandurdu, Murat/0000-0001-5636-3183;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.eninfo:eu-repo/semantics/closedAccessArsenicPolyamorphismAmorphous-to-AmorphousPressureCrystallizationArticle10.1016/j.jnoncrysol.2016.01.0142-s2.0-84955622421