Structural and electronic properties of the β-Ga2O3/4H-SiC heterojunction interface
By using first-principles calculation,the structural and electronic properties of the β-Ga2O3/4H-SiC heterojunction interface are systematically investigated.An insulating interface with small roughness and clean bandgap is constructed by using a bonding model that satisfies the electron counting rules.Si-O bonding dominates the chemical bonding at this interface.The computational results show that for β-Ga2O3 and 4H-SiC,the bandgaps obtained by using hybrid functional calculations are 4.7 eV and 3.35 eV,which are in good agreement with the experimental values.For the β-Ga2O3/4H-SiC heterojunction interface,the interface exhibits semiconducting properties with a direct band gap of 0.46 eV.Meanwhile,the β-Ga2O3 and 4H-SiC form a type-II energy band alignment,and the calculated valence band offset is 1.72 eV and a conduction band offset is 0.18 eV.The obtained results are of great significance for the design of electronic devices based on β-Ga2O3 and 4H-SiC.
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