Electronic Structure of Nearly Ferromagnetic compound HfZn$_{2}$

TL;DR

This study uses density functional theory to analyze the electronic structure of HfZn₂, revealing ferromagnetic instability and enhanced susceptibility due to a density of states peak at the Fermi level.

Contribution

It provides the first detailed theoretical analysis of HfZn₂'s electronic structure and magnetic tendencies using density functional theory.

Findings

HfZn₂ shows ferromagnetic instability.

Large enhancement of static susceptibility due to a density of states peak.

Electronic structure suggests proximity to ferromagnetic ordering.

Abstract

The electronic structure of HfZn$_{2}$ has been studied based on the density functional theory within the local-density approximation. The calculation indicates that HfZn$_{2}$ shows ferromagnetic instability. 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.