Title : ( First-principles study of structural and electronic properties of different phases of GaAs )
Authors: Hadi Arabi , A. Pourghazi , F. Ahmadian , Z. Nourbakhsh ,
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Abstract
We present a theoretical investigation of structural and electronic properties of the four known structural phases of GaAs (zinc-blende, sc16, cinnabar and Cmcm). We used the full potential linearized augmented plane wave method, within local density approximation, and also within generalized gradient approximation for the exchange correlation potential. The lattice constants, bulk modulus and its pressure derivative are calculated for each of the four phases. The data obtained for the transition pressures between different phases are presented. Band structures and densities of states of the four phases are also given. The results are compared with previous calculations and with experimental results.
Keywords
, Density functional theory; FP, LAPW; GaAs phases; Structural properties; Electronic properties
@article{paperid:1042240,
author = {Arabi, Hadi and A. Pourghazi and F. Ahmadian and Z. Nourbakhsh},
title = {First-principles study of structural and electronic properties of different phases of GaAs},
journal = {Physica B: Condensed Matter},
year = {2006},
volume = {373},
number = {1},
month = {March},
issn = {0921-4526},
pages = {16--22},
numpages = {6},
keywords = {Density functional theory; FP-LAPW; GaAs phases; Structural properties; Electronic properties},
}
%0 Journal Article
%T First-principles study of structural and electronic properties of different phases of GaAs
%A Arabi, Hadi
%A A. Pourghazi
%A F. Ahmadian
%A Z. Nourbakhsh
%J Physica B: Condensed Matter
%@ 0921-4526
%D 2006
