The spontaneous polarization, dynamical Born charges, and piezoelectric constants of the III-V nitrides AlN, GaN, and InN are studied ab initio using the Berry-phase approach to polarization in solids. The piezoelectric constants are found to be up to ten times larger than in conventional III-V and II-VI semiconductor compounds and comparable to those of ZnO. Further properties at variance with those of conventional III-V compounds are the sign of the piezoelectric constants (positive as in II-VI compounds) and the very large spontaneous polarization. [S0163-1829(97)51740-1].
Spontaneous polarization and piezoelectric constants of III-V nitrides
BERNARDINI, FABIO;FIORENTINI, VINCENZO;
1997-01-01
Abstract
The spontaneous polarization, dynamical Born charges, and piezoelectric constants of the III-V nitrides AlN, GaN, and InN are studied ab initio using the Berry-phase approach to polarization in solids. The piezoelectric constants are found to be up to ten times larger than in conventional III-V and II-VI semiconductor compounds and comparable to those of ZnO. Further properties at variance with those of conventional III-V compounds are the sign of the piezoelectric constants (positive as in II-VI compounds) and the very large spontaneous polarization. [S0163-1829(97)51740-1].
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