Pregled bibliografske jedinice broj: 146476
The stability of the V(100) surface
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)
CROSBI ID: 146476 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
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, 07.09.2003. - 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
