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The structural, electronic, dielectric and vibrational properties ofzinc-blende (ZB) InAs were studied within the framework of density functionaltheory (DFT) by employing local density approximation and norm-conservingpseudopotentials. The optimal lattice parameter, direct band gap, staticdielectric constant, phonon frequencies and Born effective charges calculatedby treating In-4d electrons as valence states are in satisfactory agreementwith other reported theoretical and experimental findings. The calculated bandgap is reasonably accurate and improved in comparison to other findings.

First principles calculations on theoretical band gap improvement of IIIA-VA zinc-blende semiconductor InAs