kova UDC 621.315.592The electronic structure of a series of III-V zinc-blende semiconductors is calculated by the full-potential linearized augmented-plane-wave method, using different exchange-correlation potential approximations. The calculated equilibrium lattice parameters and bulk moduli are shown to agree well with experiment, the band gap being acutely sensitive to the choice of the exchange-correlation potential approximation.
Full-potential linearized augmented plane wave (FLAPW) method is used to investigate absorption of K, Na, and Cs on GaAs (1 10) and (00 1) -oriented surfaces. The layer-resolved densities of states, electron energy spectrum and valence charge-densities are analyzed. Coverage dependence of the work function is obtained and is found to be in satisfactory agreement with experiments. The role of oxygen adsorption in GaAs activation to negative electron affinity state is discussed.
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