Electronic properties of excess Cr in FeCr x Se alloy
作者： Sandeep Kumar , Prabhakar P Singh , None
DOI: 10.1016/J.SSC.2015.07.006
关键词: Coherent potential approximation 、 Electron 、 Electronic band structure 、 Phonon 、 Density of states 、 Condensed matter physics 、 Coupling constant 、 Fermi surface 、 Alloy 、 Materials science
摘要: Abstract We have studied the effects of transition-metal Cr in excess on electronic and magnetic properties FeCr x Se (x = 0.0, 0.01, 0.02, 0.03, 0.04, 0.05, 0.10) alloys. used density functional based method Korringa–Kohn–Rostoker atomic sphere approximation within coherent potential to calculate densities states (DOS), band structures Fermi surfaces (FS) these Our calculations show that alloys ( ) are non-magnetic. unpolarized a subtle change terms states, structure surface with respect pure FeSe. also estimated bare Sommerfeld constant, electron–phonon coupling constant superconducting transition temperature T c for alloys, which were found be good agreement experiments.
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