Tight-Binding Bandstructure of $β-$ and $α-$ phase Ga$_2$O$_3$ and Al$_2$O$_3$

Kavli Affiliate: Debdeep Jena

| First 5 Authors: Yifan, Zhang, Mengren, Liu, Guru Khalsa

| Summary:

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 $beta-$ and $alpha-$ 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.

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