Issue 21, 2018

Half-metallicity and enhanced ferromagnetism in Li-adsorbed ultrathin chromium triiodide

Abstract

Two-dimensional materials with robust magnetism have been a long-sought goal because of their potential applications in information technology. Very recently, intrinsic ferromagnetic chromium triiodide (CrI3) was reported down to monolayer experimentally (B. Huang, et al., Nature, 2017, 546, 270). Herein, based on first-principles calculations, we show that the CrI3 monolayer can be switched from semiconducting to half-metallicity by lithium atom adsorption. The half-metallicity can be well preserved regardless of the Li concentration or the thickness of the CrI3 sheet. Moreover, the adsorption of Li atoms can further enhance the ferromagnetism of CrI3 sheets by increasing both the magnetic moment and the Curie temperature. The robust half-metallicity together with improved ferromagnetism may open up new promising applications of CrI3-based materials in spintronics.

Graphical abstract: Half-metallicity and enhanced ferromagnetism in Li-adsorbed ultrathin chromium triiodide

Supplementary files

Article information

Article type
Paper
Submitted
18 Mar 2018
Accepted
24 Apr 2018
First published
25 Apr 2018

J. Mater. Chem. C, 2018,6, 5716-5720

Half-metallicity and enhanced ferromagnetism in Li-adsorbed ultrathin chromium triiodide

Y. Guo, S. Yuan, B. Wang, L. Shi and J. Wang, J. Mater. Chem. C, 2018, 6, 5716 DOI: 10.1039/C8TC01302K

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