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      Spontaneous polarization and piezoelectric constants of III-V nitrides

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          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 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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          Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

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            Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials

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              Piezoelectric properties of III-V semiconductors from first-principles linear-response theory

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                Author and article information

                Journal
                12 May 1997
                1997-07-23
                Article
                10.1103/PhysRevB.56.R10024
                cond-mat/9705105
                Custom metadata
                RevTeX 4 pages, improved upon review
                cond-mat.mtrl-sci

                Condensed matter

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