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A Cluster Approach for Interface Electronic Structures in a Cu/Fe System
Author(s) -
Zeng Zhi,
Zheng QingQi
Publication year - 1992
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221690208
Subject(s) - cluster (spacecraft) , binding energy , interface (matter) , electronic structure , materials science , atomic physics , charge (physics) , chemical physics , core (optical fiber) , molecular physics , chemistry , crystallography , computational chemistry , physics , adsorption , composite material , quantum mechanics , computer science , programming language , gibbs isotherm
The self‐consistent spin‐unpolarized electronic structure and adhesive binding energies are obtained for the contacts of Fe(100)Cu(100) and Fe(110)Cu(100), using the cluster approach. The core‐level energies and local density of states give the behaviour of interfacial atoms and interior atoms. The charge transfer is hardly observed in the interface of Fe/Cu. The force coefficient results from the curve of binding energy versus seperation.