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Title: Electronic properties of excess Cr at Fe site in FeCr{sub 0.02}Se alloy

We have studied the effect of substitution of transition-metal chromium (Cr) in excess on Fe sub-lattice in the electronic structure of iron-selenide alloys, FeCr{sub 0.02}Se. In our calculations, we used Korringa-Kohn-Rostoker coherent potential approximation method in the atomic sphere approximation (KKR-ASA-CPA). We obtained different band structure of this alloy with respect to the parent FeSe and this may be reason of changing their superconducting properties. We did unpolarized calculations for FeCr{sub 0.02}Se alloy in terms of density of states (DOS) and Fermi surfaces. The local density approximation (LDA) is used in terms of exchange correlation potential.
Authors:
;  [1]
  1. Department of Physics, Indian Institute of Technology Bombay, Powai, Mumbai 400076 (India)
Publication Date:
OSTI Identifier:
22490459
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1665; Journal Issue: 1; Conference: 59. DAE solid state physics symposium 2014, Tamilnadu (India), 16-20 Dec 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; APPROXIMATIONS; CHROMIUM ADDITIONS; CHROMIUM ALLOYS; CORRELATIONS; CRYSTAL LATTICES; DENSITY OF STATES; ELECTRONIC STRUCTURE; FERMI LEVEL; IRON ALLOYS; IRON SELENIDES; POTENTIALS; SELENIUM ALLOYS