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Title: The energy band structure of A{sub x}Fe{sub 2}Se{sub 2} (A = K, Rb) superconductors

We study the band structure of antiferromagnetic A{sub x}Fe{sub 2}Se{sub 2} (A = K, Rb) superconductors by using first-principles electronic structure calculations which is density functional theory. In the vicinity of iron-vacancy, we identify the valence electrons of A{sub x}Fe{sub 2}Se{sub 2} will be filled up to the Fermi level and no semiconducting gap is observed. Hence, the A{sub x}Fe{sub 2}Se{sub 2} is a metallic instead of semiconducting which leads to superconductivity in the orbital-selective Mott phase. Similarly, there is non-vanishing density of states at the Fermi level.
Authors:
 [1] ;  [2] ;  [3] ;  [4]
  1. Physics Department, Centre for Defence Foundation Studies, Universiti Pertahanan Nasional Malaysia, Kuala Lumpur 59200 (Malaysia)
  2. Defence Science Department, Faculty of Defence Science and Technology, Universiti Pertahanan Nasional Malaysia, Kuala Lumpur 59200 (Malaysia)
  3. Faculty of Science and Technology, Universiti Sains Islam Malaysia, Nilai 71800, Negeri Sembilan (Malaysia)
  4. School of Physics, University of Hyderabad, Hyderabad 500046 (India)
Publication Date:
OSTI Identifier:
22266183
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1588; Journal Issue: 1; Conference: 4. international meeting on frontiers in physics, Kuala Lumpur (Malaysia), 27-30 Aug 2013; Other Information: (c) 2014 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; ANTIFERROMAGNETISM; DENSITY; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; ELECTRONS; FERMI LEVEL; IRON; SUPERCONDUCTIVITY; SUPERCONDUCTORS