Reflectance Difference Spectra Calculations of GaAs(001) As- and Ga-rich Reconstruction Surface Structures

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The reflectance difference (RD) spectra of nine GaAs(001) surface reconstructions, (2×4)β2, (2×4)α, (2×4)γ2, (2×4)β1, (2×4)γ1 and c(4×4) reconstructions on As-rich surface and (4×2)β2, (4×2)α and (4×2)β1 reconstructions on Ga-rich surface, were studied by using the nearest-neighbor sp^3s^* tight-binding method. The surface atomic positions and the tight-binding interaction parameters were obtained by the ab inito pseudopotential calculations. We found that the RD spectra have considerably different features between As- and Ga-rich surface reconstructions. The RD spectra of As-rich surfaces are mainly understood by transitions between top As-dimer states, while the RD spectra of Ga-rich surfaces are explained by the surface electronic states resulting from the sinkage of surface Ga atoms into bulk layers. These calculations are compared with the results of recent experiments.
社団法人応用物理学会の論文
1998-07-15