Abstract:Based on first principle calculations, Ga rich and As(P) rich clean GaAs0.5P0.5(001) reconstruction surfaces and adsorbed surfaces with 0.125ML coverage of Cs at different sites are researched. Formation energy of Ga rich GaAs0.5P0.5(001) β2(4×2) reconstruction surface is smaller than that of As(P) rich one, and the work functions of Ga rich β 2 (4×2) and As(P) rich β2(2×4) surfaces are 4.657 eV and 5.187 eV, respectively. The adsorption energies of Cs adatoms on both surfaces are negative, showing that Cs ads… Show more
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