Half metallic state and magnetic properties versus the lattice constant in Ti\raisebox{-.2ex}{\scriptsize 2}CoSn Heusler compound: an ab initio study

Abstract

The half metallic properties of Ti\raisebox{-.2ex}{\scriptsize 2}CoSn full-Heusler compound is studied within the framework of the density functional theory with the Perdew Burke Ernzerhof generalized gradient approximation (GGA). Structural optimization was performed and the calculated equilibrium lattice constant is 6.340 A. The spin up band of compound has metallic character and spin down band is semiconducting with an indirect gap of 0.598 eV at equilibrium lattice constant. For the lattice parameter, ranging from 6.193 to 6.884 A the compound presents 100% spin polarization and a total magnetic moment of 3${\mu }_B$.

References in corpus (3)

• Calculated electronic and magnetic properties of the half-metallic, transition metal based Heusler compounds
• Ab initio prediction of half-metallic properties for the ferromagnetic Heusler alloys Co${}_2$MSi (M=Ti, V, Cr)
• Ab-initio design of half-metallic fully-compensated ferrimagnets: the case of Cr${}_2$MnZ (Z= P, As, Sb, Bi) compounds

Cited by in corpus (2)

• Band structure calculations of Ti\raisebox{-.2ex}{\scriptsize 2}FeSn: a new half-metallic compound
• Theoretical investigations of electronic structure and magnetism in Zr2CoSn full-Heusler compound