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sp3sTight-binding parameters for transport simulations in compound semiconductors
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Abstract:A genetic algorithm approach is used to fit orbital interaction energies of sp3s* tight-binding models for the nine binary compound semiconductors consistent of Ga, Al, In and As, P, Sb at room temperature. The new parameters are optimized to reproduce the bandstructure relevant to carrier transport in the lowest conduction band and the highest three valence bands. The accuracy of the other bands is sacrificed for the better reproduction of the effective masses in the bands of interest. Relevant band edges are reproduced to within a few meV and the effective masses deviate from the experimental values typically by less than 10%.
Keywords:sp3s * tight-binding  genetic algorithm  effective mass  parametrization  III–  V material  GaAs  InAs  AlAs  GaP  InP  AlP  GaSb  InSb  AlSb  
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