In:
Physical Chemistry Chemical Physics, Royal Society of Chemistry (RSC), Vol. 23, No. 44 ( 2021), p. 25291-25297
Abstract:
Two-dimensional (2D) magnets show promising applications in spintronic devices and appeal increasing attention. CrI 2 , a counterpart of CrI 3 , is a magnetic van der Waals crystal. However, the structure of CrI 2 at the monolayer limit is not well studied. Here, based on the density functional theory, we revealed the relationship between different phases of CrI 2 monolayer and proposed a novel and stable chain structure. The one-dimensional (1D) CrI 2 chain is a ferromagnetic semiconductor with robust electronic properties against twisting and tensile strain. Interestingly, the CrI 2 chain exhibits superelasticity with a failure strain as large as 39%. In addition, both the magnetic moments on Cr atoms and the exchange energy increase with an increase in the tensile strain. Our results push magnetic ordering from 2D to 1D, which shows possible application prospects in magnetoelectric and spintronic devices.
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
