Abstract
Based on the empirical pseudo-potential method, the electronic and optical properties of the InP compound in the zinc-blende structure at ambient and under hydrostatic pressure are reported. The first-order pressure coefficients of the main band gaps (at Γ, X, and L) are given. The agreement between our calculated hydrostatic deformation potential and the available experimental data is better than 5%, whereas for the crossover pressure from direct to indirect band gap is about 10% less. The valence bandwidth increases with increasing pressure reflecting the decreased ionicity in the material of interest. Besides the electronic properties, the effect of pressure on the dielectric function is also analysed.
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