Affiliation:
1. State Key Laboratory of Metastable Materials Science & Technology and Key Laboratory for Microstructural Material Physics of Hebei Province School of Science Yanshan University Qinhuangdao 066004 China
2. Centre for Advanced Optoelectronic Functional Materials Research and Key Laboratory for UV Light-Emitting Materials and Technology of Northeast Normal University Changchun 130024 China
Abstract
AbstractJanus monolayers, a special kind of two‐dimensional materials, offer an exciting platform for the development of novel electronic/spintronic devices because of their out‐of‐plane asymmetry. Herein, we propose a sandwich liked Janus tetragonal Cr2BN monolayer with ferroelectricity and ferromagnetism through first‐principles calculations. The predicted magnetic moment is up to ~3.0 μB/Cr originating from the distorted square crystal field induced by out‐of‐plane asymmetry. The Cr2BN monolayer possesses an intrinsic ferromagnetism with a high Curie temperature of 383 K and a sizeable magnetic anisotropy energy of 171 μeV/Cr. Its robust ferromagnetism, dominating by the multi‐anion mediated super‐exchange interactions, can even resist −5 % ~5 % biaxial strain. Its large cohesive energy and high dynamical/thermal stability provide a strong feasibility for experimental synthesis. These intriguing properties render the Cr2BN monolayer a promising material for nanoscale spintronic devices.
Funder
National Natural Science Foundation of China
Natural Science Foundation of Hebei Province