Itinerant origin of the ferromagnetic quantum critical point in Fe(Ga,Ge)3

TL;DR

This paper investigates the electronic and magnetic properties of FeGa3 and doped variants, revealing an itinerant mechanism for ferromagnetism through density functional calculations and exploring thermopower via Boltzmann transport.

Contribution

It demonstrates an itinerant origin of ferromagnetic quantum criticality in Fe(Ga,Ge)3 using first-principles calculations, highlighting the role of doping.

Findings

Itinerant ferromagnetism observed in doped FeGa3.

Doping induces ferromagnetic quantum critical point.

Thermopower calculations support electronic structure insights.

Abstract

The electronic structure and magnetic properties of FeGa3 and doped FeGa3 are studied using density functional calculations. An itinerant mechanism for ferromagnetism is found both for n-type doping with Ge and also for p-type doping. Boltzmann transport calculations of the thermopower are also reported.