Issue 38, 2021

2D auxetic material with intrinsic ferromagnetism: a copper halide (CuCl2) monolayer

Abstract

The discovery of ferromagnetism in monolayer transition metal halides exemplified by CrI3 has opened a new avenue in the field of two-dimensional (2D) magnetic materials, and more such 2D materials are waiting to be explored. Herein, using an unbiased structure search combined with first-principles calculations, we have identified a novel CuCl2 monolayer, which exhibits not only intrinsic ferromagnetism but also auxetic mechanical properties originating from the interplay of lattice and Cu–Cl tetrahedron symmetries. The predicted Curie temperature of CuCl2 reaches ∼47 K, and its ferromagnetism is associated with the strong hybridization between the Cu 3d and Cl 3p states in the configuration. Moreover, upon biaxial tensile strain or carrier doping, the CuCl2 monolayer can be converted from ferromagnetic to non-magnetic and from half-metal to metal. These properties endow this CuCl2 monolayer with great potential for applications in auxetic/spintronic nanodevices.

Graphical abstract: 2D auxetic material with intrinsic ferromagnetism: a copper halide (CuCl2) monolayer

Supplementary files

Article information

Article type
Paper
Submitted
23 Jun 2021
Accepted
08 Sep 2021
First published
08 Sep 2021

Phys. Chem. Chem. Phys., 2021,23, 22078-22085

Author version available

2D auxetic material with intrinsic ferromagnetism: a copper halide (CuCl2) monolayer

H. Qin, J. Chen, B. Sun, Y. Tang, Y. Ni, Z. Chen, H. Wang and Y. Chen, Phys. Chem. Chem. Phys., 2021, 23, 22078 DOI: 10.1039/D1CP02834K

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