Electronic properties of excess Cr at Fe site in FeCr{sub 0.02}Se alloy
Journal Article
·
· AIP Conference Proceedings
- 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, Journal Name: AIP Conference Proceedings Journal Issue: 1 Vol. 1665; ISSN 0094-243X; ISSN APCPCS
- Country of Publication:
- United States
- Language:
- English
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