| Issue |
MATEC Web Conf.
Volume 355, 2022
2021 International Conference on Physics, Computing and Mathematical (ICPCM2021)
|
|
|---|---|---|
| Article Number | 01011 | |
| Number of page(s) | 6 | |
| Section | Investigation in Physics and Materials | |
| DOI | https://doi.org/10.1051/matecconf/202235501011 | |
| Published online | 12 January 2022 | |
First principles calculation of electronic properties and effective mass of zinc-blende GaN
Academy of Electronic Information and Electrical Engineering, Xiangnan University, Chenzhou 423000, China
* Corresponding author: wanghy@xnu.edu.cn
Based on the first principle pseudopotential plane wave method, the electronic structure of zinc-blende semiconductor GaN is calculated. Using the relativistic treatment of valence states, the spin orbit splitting energy of valence band top near the center of Brillouin region is calculated. Based on the effective mass approximation theory, the effective mass of electrons near the bottom of the conduction band and the effective mass of light and heavy holes near the Γ point along the directions of [100], [110] and [111] are calculated. These parameters are valuable and important parameters of optoelectronic materials.
Key words: Zinc-blende GaN / Electronic structure / Effective-mass / First principle
© The Authors, published by EDP Sciences, 2022
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