Evidence for nonlinear macroscopic polarization in III–V nitride alloy heterostructures

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Spontaneous polarization and piezoelectric constants of III-V nitrides

Vincenzo Fiorentini, Fabio Bernardini, David Vanderbilt (1997)

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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Two dimensional electron gases induced by spontaneous and piezoelectric polarization in undoped and doped AlGaN/GaN heterostructures

K. Chu, M. Murphy, A. Sierakowski … (2000)

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Macroscopic polarization and band offsets at nitride heterojunctions

Vincenzo Fiorentini, Fabio Bernardini (1997)

Ab initio electronic structure studies of prototypical polar interfaces of wurtzite III-V nitrides show that large uniform electric fields exist in epitaxial nitride overlayers, due to the discontinuity across the interface of the macroscopic polarization of the constituent materials. Polarization fields forbid a standard evaluation of band offsets and formation energies: using new techniques, we find a large forward-backward asymmetry of the offset (0.2 eV for AlN/GaN (0001), 0.85 eV for GaN/AlN (0001)), and tiny interface formation energies.