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Ferromagnetism in metallic chalcospinels $CuCr_{2}S_{4}$ and $CuCr_{2}Se_{4}$

Saha-Dasgupta, T and De, Raychaudhury M and Sarma, DD (2007) Ferromagnetism in metallic chalcospinels $CuCr_{2}S_{4}$ and $CuCr_{2}Se_{4}$. In: Physical Review B, 76 (5). 054441-1-054441-5.

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We explore the origin of ferromagnetism in CuCr2S4 and CuCr2Se4 by analyzing the computed, ab initio electronic structure. Based on our analysis, we establish the kinetic-energy driven mechanism as operative in the case of double perovskites and pyrochlores to be also responsible in these compounds for the experimentally observed ferromagnetism with high Curie temperatures. We provide detailed microscopic understanding of the mechanism in terms of Nth order muffin-tin orbital based downfolding calculations, estimates of the magnetic exchange coupling, and the ferromagnetic transition temperature, computed in mean-field way.

Item Type: Journal Article
Publication: Physical Review B
Publisher: The American Physical Society
Additional Information: Copyright of this article belongs to The American Physical Society.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 01 May 2009 07:08
Last Modified: 19 Sep 2010 05:24
URI: http://eprints.iisc.ac.in/id/eprint/18555

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