Ab initio calculation of geometry and bonding for overlaid and inlaid models of Si(001)/Sb(0.25ML)-c(4x4)
Year: 2026
Type: conference-paper
Abstract: Recent experimental work has revealed the existence of a c(4 x 4) reconstruction of the Si(001)-Sb surface in the Sb coverage range between 0.2 and 0.3 monolayers. The best fit to the experimental data was found with a structural model in which Sb dimers are adsorbed above the Si(001) dimer rows (overlaid above row structure), although a structure in which Sb dimers are incorporated into the top Si layer (inlaid structure) also fitted reasonably well. In a previous theoretical work we have shown the overlaid geometry to have the lowest surface free energy of a number of structural models considered, with the inlaid structure coming a close second. In this work we present a detailed discussion of bonding information for both of these models. (C) 1998 Elsevier Science B.V. All rights reserved.
Source: University of Warwick
Author: No author provided
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7220922639
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