Half-metallic ferrimagnet formed by substituting Fe for Mn in semiconductor MnTe

TL;DR

This paper predicts a new half-metallic ferrimagnet created by substituting Fe for Mn in MnTe, with potential applications in spintronics, based on first-principles calculations showing its stability and large half-metallic gap.

Contribution

It introduces a novel approach to designing half-metallic materials by substituting Fe into MnTe, demonstrating stable ferrimagnetism with a significant half-metallic gap.

Findings

Predicted a stable half-metallic ferrimagnet with a 0.54 eV gap.

Showed the ferrimagnetism arises from incomplete moment compensation.

Indicated potential for fabrication and spintronics applications.

Abstract

A ternary ferrimagnetic half-metal, constructed through substituting 25% Fe for Mn in zincblende semiconductor MnTe, is predicted in terms of accurate first-principles calculations. It has a large half-metallic (HM) gap of 0.54eV and its ferrimagnetic order is very stable against other magnetic fluctuations. The HM ferrimagnetism is formed because the complete moment compensation in the antiferromagnetic MnTe is replaced by an uncomplete one in the Fe-substituted MnTe. This should make a novel approach to new HM materials. The half-metal could be fabricated because Fe has good affinity with Mn, and useful for spintronics.