Stability and structural properties of the SC16 phase of ZnS under high pressure

Authors
Qteish, A Parrinello, M
Citation
A. Qteish et M. Parrinello, Stability and structural properties of the SC16 phase of ZnS under high pressure, PHYS REV B, 61(10), 2000, pp. 6521-6524
Citations number
25
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
10980121 → ACNP
Volume
61
Issue
10
Year of publication
2000
Pages
6521 - 6524
Database
ISI
SICI code
1098-0121(20000301)61:10<6521:SASPOT>2.0.ZU;2-I
Abstract
A first-principles pseudopotential method is used to investigate the stabil ity and the structural properties of the SC16 phase of ZnS under high press ure. It has been found that this form is thermodynamically stable in the pr essure range from 12.8 to 16.2 GPa,which is below the pressure range in whi ch the rocksalt structure is experimentally observed.