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cond-mat.mtrl-sci2008★ 13 cited
Manipulating magnetism and conductance of an adatom-molecule junction on metal surfaces: ab initio study
Kun Tao, V. S. Stepanyuk, P. Bruno +4
The state of the art ab initio calculations reveal the effect of a scanning tunnelling microscopy tip on magnetic properties and conductance of a benzene-adatom sandwich on Cu(001)…
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…