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Title: Theoretical study of Coulomb correlations and spin-orbit coupling in SrIrO{sub 3}

Given that energy scales associated with crystal field splitting, spin orbit coupling and coulomb correlations in iridates are comparable, hence leading to exotic properties, we investigate the physical properties of orthorhombic SrIrO{sub 3} using density functional theory. Our calculations, however, show that SrIrO{sub 3} is a bad metal with no long range magnetic ordering, unlike its sister compounds Sr{sub 2}IrO{sub 4} and Sr{sub 3}Ir{sub 2}O{sub 7}. Moreover, despite having large band width, it appears conclusive that the larger resistivity in SrIrO{sub 3} is due to spin orbit interactions. Besides, the effects of electron-electron correlations on its electronic structure and magnetic properties are also discussed.
Authors:
;  [1]
  1. National Physical Laboratory, Council of Scientific and Industrial Research, New Delhi-110012 (India)
Publication Date:
OSTI Identifier:
22490462
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1665; Journal Issue: 1; Conference: 59. DAE solid state physics symposium 2014, Tamilnadu (India), 16-20 Dec 2014; Other Information: (c) 2015 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; COMPARATIVE EVALUATIONS; CRYSTAL FIELD; DENSITY FUNCTIONAL METHOD; ELECTRON CORRELATION; ELECTRONIC STRUCTURE; ELECTRONS; IRIDIUM OXIDES; L-S COUPLING; MAGNETIC PROPERTIES; MAGNETIZATION; ORTHORHOMBIC LATTICES; STRONTIUM COMPOUNDS