paper

Tight-Binding Bandstructure of $I^^{2} -$ and $I^\pm -$ phase Ga $_{2}$ O $_{3}$ and Al $_{2}$ O $_{3}$

arXiv:2111.03959 · doi:10.1063/5.0074598

Abstract

Rapid design and development of the emergent ultra-wide bandgap semiconductors Ga $_{2}$ O $_{3}$ and Al $_{2}$ O $_{3}$ 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 $I^^{2} -$ and $I^\pm -$ phases of Ga $_{2}$ O $_{3}$ and Al $_{2}$ O $_{3}$ 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.

Tight-Binding Bandstructure of I^2− and I^±− phase Ga2​O3​ and Al2​O3​

Abstract

Tight-Binding Bandstructure of $I^^{2} -$ and $I^\pm -$ phase Ga $_{2}$ O $_{3}$ and Al $_{2}$ O $_{3}$