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

Journal Article · · AIP Conference Proceedings
DOI:https://doi.org/10.1063/1.4918014· OSTI ID:22490462
;  [1]
  1. National Physical Laboratory, Council of Scientific and Industrial Research, New Delhi-110012 (India)

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.

OSTI ID:
22490462
Journal Information:
AIP Conference Proceedings, Vol. 1665, 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); ISSN 0094-243X
Country of Publication:
United States
Language:
English