Spontaneous polarization and piezoelectric constants of III-V nitrides

Physics – Condensed Matter – Materials Science

Scientific paper

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RevTeX 4 pages, improved upon review

Scientific paper

10.1103/PhysRevB.56.R10024

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 10 times larger than in conventional III-V's and II-VI's, 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's) and the very large spontaneous polarization.

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