Self-Consistent Orthogonalized-Plane-Wave Energy-Band Study of Silicon

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Abstract
A first-principles self-consistent orthogonalized-plane-wave energy-band calculation has been performed for silicon using a nonrelativistic formalism and Slater's free-electron exchange approximation. The imaginary part of the dielectric constant valence- and conduction-band densities of states, spin-orbit splittings, deformation energies, effective masses, and the x-ray form factors (Fourier transforms of the electron charge density) have been calculated. The theoretical results are compared with the available experimental data.