Band structure calculations of Ti\raisebox{-.2ex}{\scriptsize 2}FeSn: a new half-metallic compound

Abstract: Within the framework of density functional theory, the electronic structure and magnetic properties have been studied for the Ti\raisebox{-.2ex}{\scriptsize 2}FeSn full-Heusler compound. The ferromagnetic state is found to be energetically more favorable than paramagnetic and antiferromagnetic states. The spin-polarized results show that Ti\raisebox{-.2ex}{\scriptsize 2}FeSn compound has half-metallic ferromagnetic character with a total spin moment of $2 \mu_{B}$ and a band gap in the minority spin channel of 0.489 eV, at the equilibrium lattice constant a=6.342 A.