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Bibliographic record number: 146476

Journal

Authors: Lazić, Predrag; Brako, Radovan
Title: The stability of the V(100) surface
( The stability of the V(100) surface )
Source: 22nd European Conference on Surface Science (ECOSS 22) : Book of AbstractsPrag :
Meeting: 22nd European Conference on Surface Science (ECOSS 22)
Location and date: Prag, Češka Republika, 07.-12.09.2003.
Keywords: density functional theory; surface; vanadium; stress
( density functional theory; surface; vanadium; stress )
Abstract:
We have made ab initio density functional theory (DFT) calculations of the V(100) surface, in order to determine the structure of the relaxed surface, the surface energy, surface stress, and other parameters which condition the stability of the surface. We have found a large intrinsic tensile stress on a surface with a truncated bulk structure, which decreases considerably upon relaxation of the first layer and upon the adsorption of a monolayer of silver atoms. We discuss possible mechanisms of reconstruction of the surface.
Type of meeting: Poster
Type of presentation in a journal: Abstract
Type of peer-review: International peer-review
Project / theme: 0098001
Original language: eng
Category: Znanstveni
Research fields:
Physics



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