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cond-mat.mtrl-sci2018★ 20 cited
Fitting of the TB-SMA interatomic potentials for Pt/Cu(111) surface alloy
S. A. Dokukin, S. V. Kolesnikov, A. M. Saletsky +1
In this paper we present new parameters of the TB-SMA interatomic potentials for the Pt/Cu(111) surface alloy. The parameters are fitted using both the experimental and {\it ab ini…
cond-mat.mtrl-sci2004
Ab initio approach for atomic relaxations in supported magnetic clusters
V. S. Stepanyuk, A. L. Klavsyuk, L. Niebergall +3
We present a newly developed scheme for atomic relaxations of magnetic supported clusters. Our approach is based on the full potential Korringa-Kohn-Rostoker Green's function metho…