ADSORPTION OF A MOLECULE OFS2ANDTe2ONSi(001)c(2×4)

M. T. Romero, G. Canto and N. Takeuchi
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M. T. Romero: Centro de Investigación Científica y Educación Superior de Ensenada, Km. 107 Carr. Tijuana-Ensenada, Ensenada, Baja California 22800, Mexico
G. Canto: Centro de Ciencias de la Materia Condensada, Universidad Nacional Autónoma de México, Apartado Postal 2681, Ensenada, Baja California 22800, Mexico
N. Takeuchi: Centro de Ciencias de la Materia Condensada, Universidad Nacional Autónoma de México, Apartado Postal 2681, Ensenada, Baja California 22800, Mexico

Surface Review and Letters (SRL), 2004, vol. 11, issue 01, 77-81

Abstract: We have performed first-principles total energy calculations to determine the energetics and atomic geometries of singleS2andTe2molecules on theSi(001)c(2×4)surface. In our study we considered nondissociative and dissociative adsorption of the molecules. For bothS2andTe2, a dissociated configuration is the most stable. It is characterized by adsorption of the adatoms on bridge sites on differentSidimers. However, several metastable, nondissociative configurations were also found. They may correspond to initial states in the adsorption of theS2andTe2molecules onSi(001).

Date: 2004
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DOI: 10.1142/S0218625X04005858

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