Shanthi, N. ; Mahadevan, Priya ; Sarma, D. D. (2000) Electronic band structure of cadmium chromium chalcogenide spinels: CdCr2S4 and CdCr2Se4 Journal of Solid State Chemistry, 155 (1). pp. 198-205. ISSN 0022-4596
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1006/jssc.2000.8934
Abstract
We report ab initio band structure results for two chromium chalcogenide spinels, CdCr2S4 and CdCr2Se4. Electronic structures have been calculated for both the nonmagnetic and the ferromagnetic states. The calculations correctly predict CdCr2Se4 to be a ferromagnetic insulator. The results for CdCr2S4 correspond to a ferromagnetic semimetallic ground state, with very low density of states at the Fermi energy and a nearly gapped structure. Strong exchange splitting in both compounds suggests the possibility of realizing a half-metallic ferromagnetic state in doped Cr chalcogenide spinels.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | Electronic Band Structure; Chromium Chalcogenide Spinels; Linearized Muffintin Orbital Method |
| ID Code: | 46336 |
| Deposited On: | 04 Jul 2011 06:54 |
| Last Modified: | 04 Jul 2011 06:54 |
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