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.

arXiv commentAccepted for publication in PRB

References in corpus (10)

• Electronic Structure of Sr_2FeMoO_6
• Muffin Tin Orbitals of Arbitrary Order
• A new class of magnetic materials: Sr2FeMoO6 and related compounds
• Unusual direction dependence of exchange energies in GaAs:Mn - Is the RKKY description relevant
• Polar phonons and intrinsic dielectric response of the ferromagnetic insulating spinel CdCr${}_2$S${}_4$ from first principles
• Orbital order and ferrimagnetic properties of the new compound $S{r}_{8}CaR{e}_{3}C{u}_4{O}_{24}$
• Charge Dynamics in the Colossal Magneto-Resistance Pyrochlore Tl2Mn2O7
• Origin and pressure dependence of ferromagnetism in A2Mn2O7 pyrochlores (A=Y, In, Lu, and Tl)
• Intermediate Valence Model for the Colossal Magnetoresistance in Tl_{2}Mn_{2}O_{7}
• Origin of Ferromagnetism and its pressure and doping dependence in Tl${}_2$Mn${}_2$O${}_7$