Prediction of a new class of half-metallic antiferromagnets

TL;DR

This paper demonstrates that introducing vacancies in MnO and NiO can induce half-metallicity, revealing a new pathway to create half-metallic antiferromagnets in simple crystal structures.

Contribution

It presents the novel idea that vacancy engineering can produce half-metallic antiferromagnets in simple oxides like MnO and NiO.

Findings

Vacancy-induced half-metallicity observed in MnO and NiO.

Ni$_{0.97}$O identified as a half-metallic antiferromagnet.

New approach to design half-metallic antiferromagnets in simple structures.

Abstract

We report on vacancy induced half-metallicity in the prototype Mott-insulating substances MnO and NiO. By embedding a cation-vacancy into a magnetic system a new road opens up to the construction of half-metallic antiferromagnets. For Ni$_{0.97}$O we find a half-metallic antiferromagnet a system hitherto only proposed for complicated crystal structures.