Piezoelectric coefficients of complex semiconductor alloys from first-principles: the case of Ga(1- x)In(x)N.
A first-principles-derived scheme is developed to compute the piezoelectric coefficients e(i j) of semiconductor alloys. This method is applied to study the effect of atomic arrangement and composition on e(33 ) in wurtzite Ga (1- x)In xN. Results obtained by this method for ordered structures are in good agreement with direct first-principles calculations. We predict that atomic ordering can have a large effect on piezoelectricity and that e(33 ) of disordered materials is nearly linear with composition. Microscopic origins for these features are revealed.
Al-Yacoub
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A
Physics Department, University of Arkansas, Fayetteville, Arkansas72701, USA.
Bellaiche
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L
Wei
S-H
SH