AlX (X = As, P, Sb) compounds under pressure

Citation
A. Mujica et al., AlX (X = As, P, Sb) compounds under pressure, PHYS ST S-B, 211(1), 1999, pp. 39-43
Citations number
18
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICA STATUS SOLIDI B-BASIC RESEARCH
ISSN journal
03701972 → ACNP
Volume
211
Issue
1
Year of publication
1999
Pages
39 - 43
Database
ISI
SICI code
0370-1972(199901)211:1<39:A(=APS>2.0.ZU;2-P
Abstract
We present a summary of the results of an ab initio total energy study of t he high-pressure phase diagrams of AlP, AlAs, and AlSb, calculated within t he local-density-functional theory implemented within a pseudopotential sch eme. Besides including structures considered in previous theoretical studie s (zinc-blende, rock-salt, CsCl, NiAs, and beta-tin) we have also considere d other structures such as Cmcm, cinnabar, and sc16, which have recently be en found to be stable or metastable at high pressures in several III-V and II-VI compounds. Our results support the stability of a Cmcm phase in a cer tain range of pressure for each of the compounds studied.