Atomistic simulation of a high-pressure phase of AgI using a three-body potential

Authors
Sekkal, W Laref, A Zaoui, A Aourag, H Certier, M
Citation
W. Sekkal et al., Atomistic simulation of a high-pressure phase of AgI using a three-body potential, SOL ST COMM, 112(1), 1999, pp. 49-54
Citations number
24
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
SOLID STATE COMMUNICATIONS
ISSN journal
00381098 → ACNP
Volume
112
Issue
1
Year of publication
1999
Pages
49 - 54
Database
ISI
SICI code
0038-1098(1999)112:1<49:ASOAHP>2.0.ZU;2-S
Abstract
The structural properties of AgI under high pressure and high temperature h ave been investigated using molecular dynamics simulation based on Tersoff' s potential. Superionic behaviour appears in the rocksalt-structured phase of AgI at high pressure and high temperature. Its high-diffusion coefficien ts are calculated from the mean squared atomic displacements. (C) 1999 Else vier Science Ltd. All rights reserved.