Rapid design and development of the emergent ultra-wide bandgap semiconductors Ga2O3 and Al2O3 requires a compact model of their electronic structures, accurate over the broad energy range accessed in future high-field, high-frequency, and high-temperature electronics and visible and ultraviolet photonics. A minimal tight-binding model is developed to reproduce the first-principles electronic structures of the β− and α− phases of Ga2O3 and Al2O3 throughout their reciprocal spaces. Accurately reproducing the bandgap, orbital character, and effective mass and high-energy features of the conduction band, this compact model will assist in the investigation and design of the electrical and optical properties of bulk materials, devices, and quantum confined heterostructures.
@article{arxiv.2111.03959,
title = {Tight-Binding Bandstructure of $\beta-$ and $\alpha-$ phase Ga$_2$O$_3$ and Al$_2$O$_3$},
author = {Yifan and Zhang and Mengren and Liu and Guru Khalsa and Debdeep Jena},
journal= {arXiv preprint arXiv:2111.03959},
year = {2022}
}