Open AccessFIRST PRINCIPLE STUDY OF OPTICAL-PHONON DEFORMA-TION POTENTIALS ON Λ-AXIS FOR GaAs AND AlAs
Author(s) -
Renzhi Wang,
Meng Huang
Publication year - 1990
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.39.282
Subject(s) - phonon , displacement (psychology) , physics , deformation (meteorology) , condensed matter physics , ab initio , point (geometry) , wave vector , materials science , molecular physics , quantum mechanics , geometry , mathematics , psychology , meteorology , psychotherapist
Ab initio calculations of optical-phonon deformation potentials (ODP)d30, d10 (val) and d10 (cond) on Λ-axis in Brillioun zone for the compounds GaAs and AlAs are reported. The study is based on a frozenphonon model and using the LMTO-ASA method with a frozen-potential approximation, in which the displacement of the empty sphere was considered +o match its atomic sphere partners. The validity of our method and results have been verified with the aid of calculations for wave-vector dependence of the ODPs on Λ-asix, the numerical test to the expressions about d0 VS d30 and d10 VS d10 (val) near Γ point and an extensive comprison with various calculations as well as the experiment.