title: Correlation effects in fcc-Fe(x)Ni(1-x) alloys investigated by means of the KKR-CPA.
abstract: The electronic structure and magnetic properties of the disordered alloy system fcc-FexNi1-x (fcc: face centered cubic) have been investigated by means of the KKR-CPA (Korringa-Kohn-Rostoker coherent potential approximation) band structure method. To investigate the impact of correlation effects, the calculations have been performed on the basis of the LSDA (local spin density approximation), the LSDA + U as well as the LSDA + DMFT (dynamical mean field theory). It turned out that the inclusion of correlation effects hardly changed the spin magnetic moments and the related hyperfine fields. The spin-orbit induced orbital magnetic moments and hyperfine fields, on the other hand, show a pronounced and element-specific enhancement. These findings are in full accordance with the results of a recent experimental study.
authors.affiliation: Department of Chemistry, University of Munich, Butenandstrasse 5-13, D-81377 München, Germany. New Technologies-Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen, Czech Republic.
authors.forename: J
authors.initials: J
authors.lastname: Minár
authors.forename: S
authors.initials: S
authors.lastname: Mankovsky
authors.forename: O
authors.initials: O
authors.lastname: Šipr
authors.forename: D
authors.initials: D
authors.lastname: Benea
authors.forename: H
authors.initials: H
authors.lastname: Ebert
mesh_terms: D000465:Algorithms; D000497:Alloys / Q000737:chemistry*; D003198:Computer Simulation; D004574:Electromagnetic Fields; D007501:Iron / Q000737:chemistry*; D008956:Models, Chemical; D009532:Nickel / Q000737:chemistry*; D013113:Spin Labels; D013223:Statistics as Topic
chemical_list: D000497:Alloys; D013113:Spin Labels; D009532:Nickel; D007501:Iron