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arxiv: cond-mat/0612245 · v2 · submitted 2006-12-11 · ❄️ cond-mat.mtrl-sci · cond-mat.str-el

Theoretical study of doped-Tl₂Mn₂O₇ and Tl₂Mn₂O₇ under pressure

classification ❄️ cond-mat.mtrl-sci cond-mat.str-el
keywords pressureuponapplicationtheoreticalamountattemptbehaviorcalculations
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Using first-principles density functional based calculations, we study the effect of doping and pressure in manganese based pyrochlore compound,Tl$_{2}$Mn$_{2}$O$_{7}$ that exhibits colossal magneto-resistive behavior. The theoretical study is motivated by the counter-intuitive experimental observation of suppression of ferromagnetic transition temperature upon application of pressure and its enhancement upon substitution of Mn by 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.

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