Calcul LDA et GGA des propriétés élastique de AlN, AlP et AlAs sous pression
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Date
2014-06-19
Authors
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Publisher
Université Mohamed BOUDIAF de M'Sila
Abstract
In this work, we have used ab initio calculations based on the density functional theory (DFT)
combined with the pseudo potential , also the local density approximation (LDA) et (GGA),
in the role to calculate the structural and elastics proprieties of aluminum nitride AlN witch
crystallize in the zinc blend phase .the effect of pressure on these properties is also reported.
The obtained results are in very good agreement with the values calculated by the other
searches.
Description
Keywords
PP-PW, LDA, GGA, DFT, pressure, elastic constants