Issue 41, 2022

Easy-axis rotation in ferromagnetic monolayer CrN induced by fluorine and chlorine functionalization

Abstract

On the basis of first-principles calculations, we investigate the absorption of fluorine and chlorine on ferromagnetic monolayer CrN focusing on the mechanism of spin reorientation. We use density functional theory in combination with the spin Hamiltonian approach to study the electronic and magnetic properties of monolayer CrN upon single-side adsorption of F and Cl atoms. While the electronic structure of ferromagnetic CrN remains half-metallic after functionalization, its preferred axis of magnetization is rotated toward the in-plane direction due to the orbital moment suppression. The half-coverage of CrN is found to be thermodynamically stable and ferromagnetically ordered at room temperature. Our findings demonstrate the possibility of altering the magnetic properties of a two-dimensional magnet after the adsorption of F and Cl, which opens a route to the detection of these gases using magnetic or optical measurements.

Graphical abstract: Easy-axis rotation in ferromagnetic monolayer CrN induced by fluorine and chlorine functionalization

Supplementary files

Article information

Article type
Paper
Submitted
20 Jul 2022
Accepted
28 Sep 2022
First published
17 Oct 2022

Phys. Chem. Chem. Phys., 2022,24, 25426-25433

Easy-axis rotation in ferromagnetic monolayer CrN induced by fluorine and chlorine functionalization

R. Caglayan, Y. Mogulkoc, A. Mogulkoc, M. Modarresi and A. N. Rudenko, Phys. Chem. Chem. Phys., 2022, 24, 25426 DOI: 10.1039/D2CP03318F

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