In:
Physical Chemistry Chemical Physics, Royal Society of Chemistry (RSC), Vol. 23, No. 38 ( 2021), p. 22078-22085
Abstract:
The discovery of ferromagnetism in monolayer transition metal halides exemplified by CrI 3 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 CuCl 2 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 CuCl 2 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 CuCl 2 monolayer can be converted from ferromagnetic to non-magnetic and from half-metal to metal. These properties endow this CuCl 2 monolayer with great potential for applications in auxetic/spintronic nanodevices.
Type of Medium:
Online Resource
ISSN:
1463-9076
,
1463-9084
Language:
English
Publisher:
Royal Society of Chemistry (RSC)
Publication Date:
2021
detail.hit.zdb_id:
1476283-3
detail.hit.zdb_id:
1476244-4
detail.hit.zdb_id:
1460656-2
Permalink