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Abinitio Calculation Of Nonlinear Optical-Properties Of Gaas

, , , and . Optics Communications, 85 (5-6): 437--442 (October 1991)

Abstract

The linear and nonlinear optical coefficients of GaAs have been calculated with the ab-initio full potential self-consistent pseudofunction energy band method. The computed optical reflectivity compares very well with experiment and previous empirical pseudopotential calculations, thus indicating the accuracy of our energy bands. The nonlinear optical properties also compare well with experiment and do not require a large local field correction. A direct calculation of the local field correction from first principles shows the correction limited to only 5 per cent and thus supports the finding that the local field correction is small. The only empirical adjustment in our calculation is setting the fundamental optical gap of the band structure to the experimental value of 1.52 eV.

Description

Second Harmonic generation in semiconductors; excitonic effects

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