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

A. Birsan; P. Palade

doi:10.1016/j.intermet.2013.01.005

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

Materials Science 2013-09-26 v1

Authors: 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 $2 \mu_{B}$ and a band gap in the minority spin channel of 0.489 eV, at the equilibrium lattice constant a=6.342 A.

Keywords

density functional theory Ti2FeSn full-Heusler compound half-metallic ferromagnetism electronic structure spin moment band gap

Cite

@article{arxiv.1309.6442,
  title  = {Band structure calculations of Ti\raisebox{-.2ex}{\scriptsize 2}FeSn: a new half-metallic compound},
  author = {A. Birsan and P. Palade},
  journal= {arXiv preprint arXiv:1309.6442},
  year   = {2013}
}

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