Tight-binding band structure of β- and α-phase Ga2O3 and Al2O3

Abstract

Rapid design and development of the emergent ultrawide-bandgap semiconductors Ga2O3 and Al2O3 require 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. Application of this model to α-Ga2O3/α-Al2O3 superlattices reveals that intersubband transitions can be engineered to the 1.55μm telecommunications wavelength, opening new directions in oxide photonics. Furthermore, by accurately reproducing the bandgap, orbital character, 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.