Tight-binding simulation of core impact on structural and optical properties of InN/GaN core/shell nanocrystals

Abstract

The atomistic tight-binding simulation on InN/GaN core/shell nanocrystals is mainly reported with the objective to understand the influence of the core sizes on the structural and optical properties. Computed by tight-binding theory, the single-particle spectra, excitonic states, atomistic characters, carrier overlaps, radiative lifetimes, and oscillation strengths are numerically analyzed as a function of core diameters. The detailed calculations are significantly sensitive with the core diameters. With the increasing InN core diameters, the atomistic transformations of the atomistic characters in the first-two hole states are interestingly presented, thus leading to a significant change in the structural and optical properties of InN/GaN core/shell nanocrystals. The proficient manipulation of these numerical results is considerably concluded by changing the core dimensions. The principle of core impact on the structural and optical properties of InN/GaN core/shell nanocrystals will be a valuable guideline to fabricate several electronic nanodevices.