Journal ArticleDOI
Electronic structure, surface states, surface energy, and work function of the Cu(100) surface
H. Bross,H. Bross,M. Kauzmann +2 more
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This article is published in Physical Review B.The article was published on 1995-06-15. It has received 28 citations till now. The article focuses on the topics: Specific surface energy & Surface states.read more
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Journal ArticleDOI
The surface energy of metals
TL;DR: In this article, a database of surface energies for low index surfaces of 60 metals in the periodic table was used to establish a consistent starting point for models of surface science phenomena, and the accuracy of the database was established in a comparison with other density functional theory results and the calculated surface energy anisotropies were applied in a determination of the equilibrium shape of nano-crystals of Fe, Cu, Mo, Ta, Pt and Pb.
Journal ArticleDOI
Applicability of the broken-bond rule to the surface energy of the fcc metals
TL;DR: In this article, the authors apply the Green's function based full-potential (FP) screened Korringa-Kohn-Rostoker method in conjunction with the local density approximation to study the surface energies of the noble and the fcc transition and sp metals.
Journal ArticleDOI
Surface energy of arbitrary crystal plane of bcc and fcc metals
Shubin Wang,E.K. Tian,C W Lung +2 more
TL;DR: In this article, the surface energies of arbitrary orientation crystal planes of several metals were calculated with the broken-bond model, where the bonds of the nearest neighbor and second neighbor were considered and the ratio (rho) of the second neighbor bond energy to the nearest bond energy was calculated, rho of bcc metals being larger than that of fee metals.
Journal ArticleDOI
Surface energies, adhesion energies, and exfoliation energies relevant to copper-graphene and copper-graphite systems
Yong Han,Yong Han,King C. Lai,King C. Lai,Ann Lii-Rosales,Ann Lii-Rosales,Michael C. Tringides,Michael C. Tringides,James W. Evans,James W. Evans,Patricia A. Thiel,Patricia A. Thiel +11 more
TL;DR: In this paper, the surface energies of the three low-index faces of bulk Cu were calculated using density functional theory and shown to be significantly higher than with the more common PBE functional and agree more closely with experiment.
Journal ArticleDOI
The surface energy and stress of metals
Ji Young Lee,Marko Patrick John Punkkinen,Stephan Schönecker,Z. Nabi,Krisztina Kádas,V. Zolyomi,Yang Mo Koo,Qing-Miao Hu,Rajeev Ahuja,Rajeev Ahuja,Börje Johansson,Börje Johansson,János Kollár,Levente Vitos,Levente Vitos,Se Kyun Kwon +15 more
TL;DR: In this paper, the surface properties of metals were investigated by performing first-principles calculations and a systematic database was established for the surface relaxation, surface energy (γ), and surface stress (τ) for metallic elements in the periodic table.
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