Modeling of Band Offsets in GaN Based Heterostructures
TECHNICAL UNIV OF ISTANBUL (TURKEY)
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We present a tight binding modeling of the band offsets of GaN based heterostructures. The model considers the nonorthogonality of the sp3 set of orbitals of adjacent atoms and spin-orbit coupling and uses the Hartre-Fock atomic energies and interacting matrix element obtained by fitting existing band structures for bulk materials to determine the valence band energies at 0 K and I Bar, which are screened by the optical dielectric constants of bulk materials at any temperature, pressure, strain, and composition. The model compares very well with experiment for the valence and conduction band offsets of GaN based and many other heterostructures.
- Atomic and Molecular Physics and Spectroscopy
- Solid State Physics