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

Journal Article · Wed Jun 24 00:00:00 EDT 2015 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4918011· OSTI ID:22490459

Kumar, Sandeep; Singh, Prabhakar P. ^[1]

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1. Department of Physics, Indian Institute of Technology Bombay, Powai, Mumbai 400076 (India)

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.

• OSTI ID: 22490459
• Journal Information: AIP Conference Proceedings, Vol. 1665, 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); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

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