Electronic Structure and Magnetic Properties of $\beta$-Ti$_{6}$Sn$_{5}$

TL;DR

This study uses density functional theory to analyze the electronic and magnetic properties of $eta$-Ti$_{6}$Sn$_{5}$, revealing its proximity to ferromagnetic instability and the effects of doping on its magnetic ordering.

Contribution

First-principles calculations provide new insights into the electronic structure and magnetic tendencies of $eta$-Ti$_{6}$Sn$_{5}$, highlighting its near-ferromagnetic state and doping-induced magnetism.

Findings

$eta$-Ti$_{6}$Sn$_{5}$ is close to ferromagnetic instability.

Doping with rare earth elements induces ferromagnetic ordering.

A peak in the density of states at the Fermi level enhances static susceptibility.

Abstract

The electronic structure of $\beta$-Ti$_{6}$Sn$_{5}$ has been studied based on the density functional theory within the local-density approximation. The calculation indicates that $\beta$-Ti$_{6}$Sn$_{5}$ is very close to ferromagnetic instability and shows ferromagnetic ordering after rare earth element doping. Large enhancement of the static susceptibility over its non-interacting value is found due to a peak in the density of states at the Fermi level.