title: Piezoelectric coefficients of complex semiconductor alloys from first-principles: the case of Ga(1- x)In(x)N.
abstract: 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.
authors.affiliation: Physics Department, University of Arkansas, Fayetteville, Arkansas72701, USA.
authors.forename: A
authors.initials: A
authors.lastname: Al-Yacoub
authors.forename: L
authors.initials: L
authors.lastname: Bellaiche
authors.forename: S-H
authors.initials: SH
authors.lastname: Wei