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arXiv · 1309.6442

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

A. Birsan·P. Palade
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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 $2 μ_{B}$ and a band gap in the minority spin channel of 0.489 eV, at the equilibrium lattice constant a=6.342 A.

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A. Birsan, P. Palade. 2013-09-25. Band structure calculations of Ti\raisebox{-.2ex}{\scriptsize 2}FeSn: a new half-metallic compound. https://doi.org/10.1016/j.intermet.2013.01.005

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