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- W2080553998 abstract "Atomic and electronic structures for a number of InP and GaP (001) surface geometries were studied within the density functional theory (DFT) in order to reexamine the energy stability of surface reconstructions in the cation-rich limit. It is shown that in both cases the mixed dimer (2×4) reconstruction is the energetically favored in the cation rich limit. The ζ(4×2) reconstruction has the lowest surface energy among considered (4×2) surface structures. Comparative theoretical study of iodine adsorption on the semiconductor surface with ζ(4×2) and mixed dimer (2×4) structures was performed. It was shown that iodine prefers to be bonded with dimerized cation atoms irrespective on the surface reconstruction." @default.
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- W2080553998 date "2015-03-09" @default.
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- W2080553998 title "Ab-initio Study of Cation-rich InP(001) and GaP(001) Surface Reconstructions and Iodine Adsorption" @default.
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- W2080553998 doi "https://doi.org/10.1088/1757-899x/77/1/012004" @default.
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