Full band structure calculation of the linear electro-optic susceptibility

Abstract
We have derived a complete microscopic quantum mechanical expression for the frequency-dependent (clamped lattice) linear electro-optic (EO) susceptibility, χ⇊(2) (−ω;ω,0), of crystalline solids in the independent particle approximation. The expression is free of the unphysical divergent terms at zero frequency which often plague such calculations. Using these expressions and utilizing a linear combination of Gaussian orbitals technique in conjunction with the Xα method we have carried out a full band structure calculation of the frequency-dependent linear EO susceptibility of GaAs. Our calculated results are in good agreement with the available experimental measurements.