Lattice dynamics of Ga1-xAlxAs studied by ab initio calculations

Authors
Sternik, M Jochym, PT Parlinski, K
Citation
M. Sternik et al., Lattice dynamics of Ga1-xAlxAs studied by ab initio calculations, COMP MAT SC, 13(4), 1999, pp. 232-238
Citations number
16
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
COMPUTATIONAL MATERIALS SCIENCE
ISSN journal
09270256 → ACNP
Volume
13
Issue
4
Year of publication
1999
Pages
232 - 238
Database
ISI
SICI code
0927-0256(199901)13:4<232:LDOGSB>2.0.ZU;2-5
Abstract
We have calculated the phonon dispersion and phonon density of states of su perlattices of Ga1-xAlxAs for x = 0.0, 0.25. 0.75 and 1.0 using the ab init io method within the supercell approach and calculating the Hellmann-Feynma n fords. A noticeable difference of force constants between Ga-As and Al-As atomic pairs has been found. In any case, Al atoms vibrate in well-separat ed high-frequency optic modes. (C) 1999 Published by Elsevier Science B.V. All rights reserved.