Tight-Binding Bandstructure of β- and α- phase Ga2O3 and Al2O3
Abstract
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.
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