First-principles calculations of the thermodynamic and structural properties of strained InxGa1-xN and AlxGa1-xN alloys

Authors
Teles, LK Furthmuller, J Scolfaro, LMR Leite, JR Bechstedt, F
Citation
Lk. Teles et al., First-principles calculations of the thermodynamic and structural properties of strained InxGa1-xN and AlxGa1-xN alloys, PHYS REV B, 62(4), 2000, pp. 2475-2485
Citations number
59
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
01631829 → ACNP
Volume
62
Issue
4
Year of publication
2000
Pages
2475 - 2485
Database
ISI
SICI code
0163-1829(20000715)62:4<2475:FCOTTA>2.0.ZU;2-I
Abstract
We present first-principles calculations of the thermodynamic and structura l properties of cubic InxGa1-xN and AlxGa1-xN alloys. They an based on the generalized quasichemical approach to disorder and composition effects and a pseudopotential-plane-wave approximation for the total energy. The cluste r treatment is generalized to study the influence of biaxial strain. We fin d a remarkable suppression of phase separation in InxGa1-xN.