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Author Kumar, Sandeep ♦ Singh, Prabhakar P.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY ♦ ALLOYS ♦ APPROXIMATIONS ♦ COMPUTERIZED SIMULATION ♦ CORRELATIONS ♦ DENSITY OF STATES ♦ DOPED MATERIALS ♦ ELECTRONIC STRUCTURE ♦ FERMI LEVEL ♦ IRON SELENIDES ♦ SILICON ADDITIONS ♦ SUPERCONDUCTIVITY ♦ TRANSITION TEMPERATURE
Abstract We have performed first-principles study of electronic and superconducting properties of FeSe{sub 0.9-x}Si{sub x} (x = 0.0, 0.05) alloys using Korringa-Kohn-Rostoker Atomic Sphere Approximation within the coherent potential approximation (KKR-ASA-CPA). In our calculations, we used the local density approximation (LDA) for the exchange correlation potential. Our calculations show that these alloys are nonmagnetic in nature. We found that the substitution of Si at Se site into FeSe{sub 0.9} made subtle affects in the electronic structure with respect to the parent FeSe. The results have been analyzed in terms of changes in the density of states (DOS), band structures, Fermi surfaces and the superconducting transition temperature of FeSe{sub 0.9} and FeSe{sub 0.85}Si{sub 0.05} alloys.
ISSN 0094243X
Educational Use Research
Learning Resource Type Article
Publisher Date 2016-05-23
Publisher Place United States
Volume Number 1731
Issue Number 1


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