DFT-Based Study on Electronic, Magnetic and Thermodynamic Properties of HoMnO3: A Half-Metallic Material with Nearly Linear Band Crosses

Abstract

A novel half-metallic family of materials, the multiple Dirac cones half-metals, has received considerable interest from researchers. Benefiting from its novel electronic structure, they are promising candidates for ultra-performance spintronic devices. In this paper, we propose a new half-metallic material, perovskite-type [Formula: see text] HoMnO3, which possesses similar Dirac-like multiple linear band crosses. We investigated its electronic, magnetic and thermodynamic properties in detail on the basis of density functional theory. The excellent band structures are robust enough against spin-orbit coupling and electron and hole doping. Through calculations, we confirmed its multi-aspect stability. Based on the current study, we confirm that HoMnO3 has potential for next-generation spintronic applications.