Journal
PHYSICAL REVIEW B
Volume 80, Issue 20, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.80.201101
Keywords
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Funding
- SNBose Centre
- Swarnajayanti
- Advanced Materials Research Unit
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The electronic structure of the spinel compound, FeCr2S4, is studied using density-functional-theory-based calculations. Our calculations provide a microscopic understanding of the origin of the insulating behavior of this compound, which turn out to be driven by Coulomb enhanced spin-orbit coupling operative within the Fe-d manifold. We also investigate the possible role of the structural distortions and compare the calculated optical property data with that of the experimental one.
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