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Theoretical study of doped $Tl_2Mn_2O_7$ and $Tl_2Mn_2O_7$ under pressure

Raychaudhury, Molly De and Saha-Dasgupta, T and Sarma, DD (2007) Theoretical study of doped $Tl_2Mn_2O_7$ and $Tl_2Mn_2O_7$ under pressure. In: Physical Review-B, 75 (1). 014443:1 -9.

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Using first-principles density-functional-based calculations, we study the effect of doping and pressure on the manganese-based pyrochlore compound, $Tl_2Mn_2O_7$, which exhibits colossal magnetoresistive behavior. The theoretical study is motivated by the counterintuitive experimental observation of suppression of the ferromagnetic transition temperature upon application of pressure and its enhancement upon substitution of Mn by a moderate amount of nonmagnetic Sb ion. We also attempt to resolve the issue related to crystal structure changes that may occur upon application of pressure.

Item Type: Journal Article
Publication: Physical Review-B
Publisher: American Physical Society
Additional Information: Copyright of this article belongs to American Physical Society.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 28 Mar 2007
Last Modified: 19 Sep 2010 04:36
URI: http://eprints.iisc.ac.in/id/eprint/10384

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