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Electronic structure of disordered Pd3Fe
Affiliation:1. Department of Geology, Rhodes University, Artillery Road, Makhanda (Grahamstown), 6139, South Africa;2. Department of Earth, Environmental and Planetary Sciences, Rice University, 6100 Main Street, Houston, TX 77005, United States of America;3. Botswana International University of Science and Technology, Private Bag 16, Palapye, Botswana;1. Department of Geological Sciences, University of Cape Town, Rondebosch 7701, South Africa;2. Department of Geology, University of Georgia, Athens, GA 30602, USA;3. KiDs (Kimberlites and Diamonds), School of Earth Sciences, The University of Melbourne, Parkville, 3010, VIC, Australia;4. Institute of Geochemistry and Petrology, Department of Earth Sciences, ETH Zurich, Clausiusstrasse 25, 8092 Zurich, Switzerland;1. University of Perpignan Via Domitia, Centre de Formation et de Recherche sur les Environnements Méditerranéens (CEFREM), UMR 5110, 52 Avenue Paul Alduy, 66100 Perpignan, France.;2. ISTerre, UMR-CNRS 5275, Observatoire des Sciences de l''Univers de Grenoble, Université Joseph Fourier, Maison des Géosciences, 1381 rue de la Piscine, 38400 St. Martin d''Hères, France;3. GET, Observatoire Midi-Pyrénées, Université de Toulouse, CNRS, IRD, UMR 5563, 14, Avenue E. Belin, F31400 Toulouse, France;4. Ifremer, Géosciences Marines, CS 10070, 29280 Plouzané, France;5. Total SA, CSTJF, Avenue Larribau, 64000 Pau, France.;6. University of Lille, CNRS, Univ. Littoral Côte d''Opale, UMR 8187, LOG, Laboratoire d''Océanologie et de Géosciences, F59000 Lille, France;7. University of Brest, CNRS, IUEM, Plouzané, France
Abstract:The electronic structure of disordered Pd3Fe is studied within an almost self-consistent KKR-CPA procedures. Our starting point are the self-consistent potentials for the ordered ferromagnetic Pd3Fe obtained by the LMTO method. We perform the ferromagnetic calculation and examine the influence of disorder on the electronic structure of this alloy through the analysis of the Bloch spectral functions and densities of states and compare our results with experiment. We also propose a mechanism for the formation of magnetic moments in ferromagnetic alloys.
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