Abstract
AbstractThe band structure of the chalcopyrite semiconductor CdSiP2 is calculated using the empirical pseudopotential method applied successfully already in the case of ZnSiP2. The band structure is in good agreement with recent experimental data, especially with the inverse crystal field splitting found by Shileika et al. The influence of the three contributions to the deviation of the chalcopyrite structure from a cubic one (antisymmetric cation potential, tetragonal compression and distortion of the anion sublattice) on the band structure and the optical transition energies is investigated in detail for both ZnSiP2 and CdSiP2.
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