The stability of the V(100) surface (CROSBI ID 496268)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija
Podaci o odgovornosti
Lazić, Predrag ; Brako, Radovan
engleski
The stability of the V(100) surface
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.
density functional theory; surface; vanadium; stress
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Podaci o prilogu
2003.
objavljeno
Podaci o matičnoj publikaciji
22nd European Conference on Surface Science (ECOSS 22) : Book of Abstracts
Prag:
Podaci o skupu
22nd European Conference on Surface Science (ECOSS 22)
poster
07.09.2003-12.09.2003
Prag, Češka Republika