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

Journal Article · Wed Mar 05 00:00:00 EST 2014 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4866961· OSTI ID:22266183

Zabidi, Noriza A. ^[1]; Azhan, Muhd. Z. ^[2]; Rosli, A. N. ^[3]; Shrivastava, Keshav N. ^[4]

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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)

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.

• OSTI ID: 22266183
• Journal Information: AIP Conference Proceedings, Vol. 1588, 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); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ANTIFERROMAGNETISM
DENSITY
DENSITY FUNCTIONAL METHOD
ELECTRONIC STRUCTURE
ELECTRONS
FERMI LEVEL
IRON
SUPERCONDUCTIVITY
SUPERCONDUCTORS