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The stability of the V(100) surface


Lazić, Predrag; Brako, Radovan
The stability of the V(100) surface // 22nd European Conference on Surface Science (ECOSS 22) : Book of Abstracts
Prag, 2003. (poster, međunarodna recenzija, sažetak, znanstveni)


Naslov
The stability of the V(100) surface

Autori
Lazić, Predrag ; Brako, Radovan

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
22nd European Conference on Surface Science (ECOSS 22) : Book of Abstracts / - Prag, 2003

Skup
22nd European Conference on Surface Science (ECOSS 22)

Mjesto i datum
Prag, Češka Republika, 07.-12.09.2003

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
Density functional theory; surface; vanadium; stress

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Fizika



POVEZANOST RADA


Projekt / tema
0098001

Ustanove
Institut "Ruđer Bošković", Zagreb