Study of electronic and optical properties of aluminium pnictides (AlX, X = P, As, Sb)


A comparative study of theoretical and experimental electronic properties and linear optical dielectric function of zinc blende structure of aluminium pnictides is presented by applying the full-potential linearized augmented plane wave (FP-LAPW) method within density-functional theory (DFT) as implemented in WIEN2k code. Results are presented for the band structures, for the density of states, and for the real and imaginary parts of the linear dielectric functions for photon energies up to 10 eV. The results are compared with other existing calculations and experimental data and agreement was found.

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