Bi-stimuli assisted engineering and control of magnetic phase in monolayer CrOCl

• Published in: Physical chemistry chemical physics : PCCP Vol. 22; no. 22; pp. 1286 - 12813
• Main Authors: Nair, A. K, Rani, S, Kamalakar, M. Venkata, Ray, S. J
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 14.06.2020
• Subjects: Antiferromagnetism; Control stability; Curie temperature; Dimensional stability; Electric fields; Ferromagnetism; First principles; Magnetic properties; Phase control; Phase transitions; Room temperature; Stimuli; Two dimensional materials
• ISSN: 1463-9076; 1463-9084; 1463-9084
• DOI: 10.1039/d0cp01204a

Magnetic phase control and room temperature magnetic stability in two-dimensional (2D) materials are indispensable for realising advanced spintronic and magneto-electronic functions. Our current work employs first-principles calculations to comprehensively study the magnetic behaviour of 2D CrOCl, uncovering the impact of strain and electric field on the material. Our studies have revealed that uniaxial strain leads to the feasibility of room temperature ferromagnetism in the layer and also detected the occurrence of a ferromagnetic → antiferromagnetic phase transition in the system, which is anisotropic along the armchair and zigzag directions. Beyond such a strain effect, the coupling of strain and electric field leads to a remarkable enhancement of the Curie temperature ( T c ) ∼ 450 K in CrOCl. These predictions based on our detailed simulations show the prospect of multi-stimuli magnetic phase control, which could have great significance for realizing magneto-mechanical sensors. Magnetic phase control in two-dimensional CrOCl can be achieved through the application of strain and electric field. This leads to a ferromagnetic to antiferromagnetic phase transition and remarkable enhancement of the Curie temperature to 450 K.