Hexagonal MnTe with Antiferromagnetic Spin Splitting and Hidden Rashba–Dresselhaus Interaction for Antiferromagnetic Spintronics

Abstract

Abstract Hexagonal MnTe emerges as a critical component in designing magnetic quantum heterostructures, calling for a detailed study. After finding a suitable combination of exchange–correlation functional and corrections, this study within ab initio density functional theory uncovers an insulating state with a preferred antiferromagnetic (AFM) order. The exchange interaction strengths are computed to estimate the AFM ordering temperature via Monte Carlo calculations. These calculations and symmetry analysis reveal a large spin splitting in the system due to the AFM order without considering spin–orbit interaction, except in the k x ‐ k y plane. Critically examining the band dispersion and spin textures obtained from these calculations and comparing them with an insightful symmetry analysis and analytical model, a combined Rashba–Dresselhaus interaction in the k x ‐ k y plane, around the K point of the system, is confirmed. These results and insights would help design heterostructures of MnTe for technological applications.