Physics – Condensed Matter – Materials Science
Scientific paper
1997-05-12
Physics
Condensed Matter
Materials Science
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.
Bernardini Fabio
Fiorentini Vincenzo
Vanderbilt David
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