Theoretical study of doped-Tl$_{2}$Mn$_{2}$O$_{7}$ and Tl$_{2}$Mn$_{2}$O$_{7}$ under pressure

Abstract

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.