Ab initio calculation of geometry and bonding for overlaid and inlaid models of Si(001)/Sb(0.25ML)-c(4x4)
UNSPECIFIED (1998) Ab initio calculation of geometry and bonding for overlaid and inlaid models of Si(001)/Sb(0.25ML)-c(4x4). In: 17th European Conference on Surface Science, ENSCHEDE, NETHERLANDS, SEP 16-19, 1997. Published in: Surface Science, 404 (1-3). pp. 645-648.Full text not available from this repository.
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.
|Item Type:||Conference Item (UNSPECIFIED)|
|Subjects:||Q Science > QD Chemistry
Q Science > QC Physics
|Journal or Publication Title:||Surface Science|
|Publisher:||ELSEVIER SCIENCE BV|
|Date:||15 May 1998|
|Number of Pages:||4|
|Page Range:||pp. 645-648|
|Title of Event:||17th European Conference on Surface Science|
|Location of Event:||ENSCHEDE, NETHERLANDS|
|Date(s) of Event:||SEP 16-19, 1997|
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