Dynamical properties of pnictide ZnSnP2 from ab initio calculations

Authors
Lazewski, J Parlinski, K
Citation
J. Lazewski et K. Parlinski, Dynamical properties of pnictide ZnSnP2 from ab initio calculations, J ALLOY COM, 328(1-2), 2001, pp. 162-165
Citations number
25
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF ALLOYS AND COMPOUNDS
ISSN journal
09258388 → ACNP
Volume
328
Issue
1-2
Year of publication
2001
Pages
162 - 165
Database
ISI
SICI code
0925-8388(20011004)328:1-2<162:DPOPZF>2.0.ZU;2-C
Abstract
Self-consistent density-functional calculations are reported for chalcopyri te structure semiconductor ZnSnP2. Results include lattice parameters obtai ned from total energy minimization as well as phonon dispersion relations a nd phonon density of states derivated from the Hellmann-Feynman forces usin g the direct method. Comparison with experimental data and previous calcula tions based on phenomenological models shows overall agreement. (C) 2001 El sevier Science BY All rights reserved.