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• W2079086913 abstract "We present a comprehensive picture of the As adsorption on the InP(110) surface based on ab initio density-functional calculations. The bonding behavior of single As adatoms is investigated by the calculation of the Born-Oppenheimer energy face. The adatom motion is characterized by an attractive interaction and a pronounced diffusion channel along [1$1ifmmodebarelsetextasciimacronfi{}$0]. The translationally invariant As/InP(110)$1ifmmodetimeselsetexttimesfi{}1$ system is discussed in terms of an ordered As monolayer and an exchange reaction between surface P atoms and As adatoms. The epitaxial continued layer structure represents the ground state of the initial-stage interface between the ordered As monolayer and the InP(110) surface. The exchange-reacted surface with one InAs(110) top layer is energetically stable over a wide range of the In and As chemical potentials, whereas the monolayer adsorption occurs preferentially for As- and P-rich preparation conditions. We calculate electronic and vibrational features of the interface and compare with the available experimental data." @default.
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• W2079086913 date "1997-09-15" @default.
• W2079086913 modified "2023-10-14" @default.
• W2079086913 title "As on InP(110) studied within density-functional theory" @default.
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• W2079086913 doi "https://doi.org/10.1103/physrevb.56.6719" @default.
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