Electronic Band Structure of Cadmium Chromium Chalcogenide Spinels: $CdCr_2$$S_4$ and $CdCr_2$$Se_4$

Shanthi, N and Priya, Mahadevan and Sarma, DD (2000) Electronic Band Structure of Cadmium Chromium Chalcogenide Spinels: $CdCr_2$$S_4$ and $CdCr_2$$Se_4$. In: Journal of Solid State Chemistry, 155 (1). pp. 198-205.

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Abstract

We report ab initio band structure results for two chromium chalcogenide spinels, $CdCr_2$$S_4$ and $CdCr_2$$Se_4$. Electronic structures have been calculated for both the nonmagnetic and the ferromagnetic states. The calculations correctly predict $CdCr_2$$Se_4$ to be a ferromagnetic insulator. The results for $CdCr2$$S_4$ 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:	Journal Article
Publication:	Journal of Solid State Chemistry
Publisher:	Academic Press
Additional Information:	Copyright of this artical belongs to Academic Press.
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	12 Jul 2006
Last Modified:	19 Sep 2010 04:29
URI:	http://eprints.iisc.ac.in/id/eprint/7834

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