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.

References in corpus (2)

• Calculated electronic and magnetic properties of the half-metallic, transition metal based Heusler compounds
• Half metallic state and magnetic properties versus the lattice constant in Ti\raisebox{-.2ex}{\scriptsize 2}CoSn Heusler compound: an ab initio study

Cited by in corpus (4)

• First principle investigations of the structural, electronic and magnetic properties of the new zirconium based full-Heusler compounds, Zr2MnZ (Z = Al, Ga and In)
• Theoretical investigations of electronic structure and magnetism in Zr2CoSn full-Heusler compound
• Electronic structure and magnetism of new scandium-based full Heusler compounds: Sc2CoZ (Z=Si, Ge, Sn)
• Lattice Dynamics, Mechanical Properties, Electronic Structure and Magnetic Properties of Equiatomic Quaternary Heusler Alloys CrTiCoZ (Z =Al,Si) using first principles calculations