Half-metallic electronic structures of giant magnetoresistive spinels: Fe1-xCuxCr2S4 (x = 0.0,0.5,1.0)
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- Title
- Half-metallic electronic structures of giant magnetoresistive spinels: Fe1-xCuxCr2S4 (x = 0.0,0.5,1.0)
- Authors
- Park, MS; Kwon, SK; Youn, SJ; Min, BI
- Date Issued
- 1999-04-15
- Publisher
- AMERICAN PHYSICAL SOC
- Abstract
- Electronic structures of Cr-based chalcogenide spinels Fe1-xCuxCr2S4 (x = 0.0,0.5,1.0) are investigated by using the Linearized muffin-tin orbital (LMTO) band method in both the local-spin-density approximation (LSDA) and the LSDA + U. The LSDA yields the half-metallic electronic structures for x = 0.0,1.0 and the insulating electronic structure for x = 0.5. The LSDA + U yields the insulating electronic:structures for x = 0.0 in agreement with experiments. The orbital ordering driven by the on-site Coulomb interaction for x = 0.0 is demonstrated based on the LSDA + U electronic structures. Orbital magnetic moment Morb is obtained by taking into account the spin-orbit interaction. M-orb'S of Fe and Cu in these compounds are found to be very large, reflecting the localized features of 3d band electrons. Conduction models for x = 0.0,0.5,1.0 are discussed with the schematic energy diagrams incorporating the Jahn-Teller effect and the half-metallic electronic structures, [S0163-1829(99)15515-2].
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/12037
- DOI
- 10.1103/PhysRevB.59.10018
- ISSN
- 0163-1829
- Article Type
- Article
- Citation
- PHYSICAL REVIEW B, vol. 59, no. 15, page. 10018 - 10024, 1999-04-15
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