Origin of Ferromagnetism and its pressure and doping dependence in Tl$_{2}$Mn$_{2}$O$_{7}$

Details Origin of Ferromagnetism and its pressure and doping dependence in Tl$_{2}$Mn$_{2}$O$_{7}$ Origin of Ferromagnetism and its pressure and doping dependence in Tl$_{2}$Mn$_{2}$O$_{7}$

2006-01-25

arxiv.org/abs/cond-mat/0601563v1

Physics

Condensed Matter

Materials Science

Accepted for publication in PRL

Scientific paper

10.1103/PhysRevLett.96.087205

Using NMTO-{\it downfolding} technique, we explore and establish the origin of ferromagnetism in the pyrochlore system, Tl$_{2}$Mn$_{2}$O$_{7}$. It is found to be driven by hybridization induced spin-polarization of the delocalized charge carriers derived from Tl-$s$ and O-$p$ states. The mean-field estimate of the ferromagnetic transition temperature, T$_c$, estimated using computed exchange integrals are found to be in good agreement with the measurements. We find an enhancement of T$_{c}$ for moderate doping with nonmagnetic Sb and a suppression of T$_{c}$ upon application of pressure, both in agreement with experimental findings.

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