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- W1994920603 abstract "We have presented an ab initio pseudopotential study within the local density approximation of the structural properties of the S-treated InP(110) surface for an exchange model. The calculated structural parameters for this model are in good agreement with previous ab initio calculations. With these structural papameters, we have used an ab initio linear-response approach based on the density functional theory to investigate the dynamical properties of this surface. We discuss the similarities and contrast the differences in the phonon dispersion curves of the S-treated InP(110) and the clean InP(110) surfaces. We have found that the rotational phonon mode predicted for the clean surface can be also identified for the S-treated InP(110) surface. In addition to this, two new surface-localized phonon states appear in the acoustic-optical gap range due to the adsorption of S atoms. (© 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)" @default.
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- W1994920603 date "2004-11-01" @default.
- W1994920603 modified "2023-10-18" @default.
- W1994920603 title "Ab initio determination of structural and dynamical properties of the InP(110)-S interface" @default.
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- W1994920603 doi "https://doi.org/10.1002/pssc.200405292" @default.
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