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First-principle calculations of the linear and nonlinear optical response for GaX (X = As, Sb, P)

  • Solid and Condensed State Physics
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Abstract.

The linear and nonlinear optical properties in non-centro-symmetric cubic semiconductor GaX (X=As, Sb, P) are studied by using the first-principle full potential linear augmented plane wave (FP-LAPW) and the linear muffin-tin orbital (LMTO) methods. We present calculations of the frequency-dependent complex dielectric function \(\varepsilon \left( \omega \right)\) and it zero-frequency limit \(\varepsilon _1 \left( 0 \right)\). A simple scissor operator is applied to adjust the band gap from the local-density calculations to match the experimental value. Calculations are reported for the frequency-dependent complex second-order non-linear optical susceptibilities \(\chi ^2\left( \omega \right)\) up to 6 eV and it zero-frequency limit \(\chi ^2\left( 0 \right)\). Comparison with available experimental data shows good agreement. Our calculations show excellent agreement between the two methods.

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  1. Physics Department, College of Science-Basra University, Basra, Iraq

    Ali Hussain Reshak

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  1. Ali Hussain Reshak
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Correspondence to Ali Hussain Reshak.

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Reshak, A. First-principle calculations of the linear and nonlinear optical response for GaX (X = As, Sb, P). Eur. Phys. J. B 47, 503–508 (2005). https://doi.org/10.1140/epjb/e2005-00364-3

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