$Ab\ Initio$ Calculation of Dielectric Function in Wurtzite GaN Based on Walter's Model
Zi-Wei Zhu2, Ji-Yuan Zheng1, Lai Wang1**, Bing Xiong1, Chang-Zheng Sun1, Zhi-Biao Hao1, Yi Luo1, Yan-Jun Han1, Jian Wang1, Hong-Tao Li1
1Tsinghua National Laboratory on Information Science and Technology, Department of Electronic Engineering, Tsinghua University, Beijing 100084 2Department of Physics, Tsinghua University, Beijing 100084
Abstract：The wavelength-dependent and frequency-dependent dielectric function of wurtzite-GaN is calculated totally from fundamental parameters such as the lattice constant using Walter's ab initio model. The errors occurring in the calculation are carefully reduced by linear interpolation of energy data. The Kramers–Krönig transform of the real part of greater range is obtained by extrapolation of the real part. The calculation is time-consuming but meaningful. The long-wave results are similar to the experimental data of the photon and are useful for related investigation of properties of wide-gap semiconductors such as electron scattering like the Auger recombination and impact ionization.
2017, Vol. 34 
