Krishna Yalavarthi, Vinay Chimalgi, Shaikh Ahmed
Numerical investigation is carried out to compare the influence of linear and nonlinear piezoelectric fields on the electronic and optical properties of recently-proposed wurtzite GaN/InN/GaN disk-in-wire LED structures. The computational framework employs a combination of fully atomistic valence force-field molecular mechanics and 10-band sp3s*-SO tight-binding electronic bandstructure models, and accurately captures the interplay between the long-range electro-mechanical fields and the quantum atomicity in the device. In particular, to model piezoelectricity in the wurtzite lattice, four different polarization models (based on the experimental/bulk and ab initio coefficients) have been considered in increased order of accuracy. In contrast to recent calculation on thin-film quantum well structures, results obtained in this letter show that the nonlinear (2nd-order) piezoelectric contribution has insignificant effects on the overall electronic and optical properties in reduced-dimensionality nanoscale disk-in-wire LED structures.
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http://arxiv.org/abs/1303.6650
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