Issue 46, 2021

Intrinsic ferromagnetism in 2D h-CrC semiconductors with strong magnetic anisotropy and high Curie temperatures

Abstract

Two-dimensional (2D) intrinsic room-temperature ferromagnetic semiconductors are of great importance for the development of high-performance flexible electronic and spintronic nanodevices. In this work, we identify that the hexagonal chromium carbide (h-CrC) sheet is such a material using comprehensive density functional theory computations. Its thermodynamic structure and ferromagnetic ground state are both verified to be highly stable in an ambient environment. Apart from a large magnetic anisotropy with an easy out-of-plane magnetization axis, Monte Carlo simulations based on the classical Heisenberg model predict a high Curie temperature up to 555 K, well above room temperature for device applications. The ultrahigh carrier mobilities are recognized to be electron-dominated and feature directional migration. More importantly, the semiconducting and ferromagnetic nature of 2D h-CrC crystals remains rather robust and becomes even more excellent when subjected to different levels of biaxial strain. In particular, the moderate compressive strains not only activate the semiconducting h-CrC sheet into a half-metallic state but also strikingly enhance the Curie temperature and magnetic anisotropy energy. On the other hand, it is observed that the 2D h-CrC crystal begins to undergo an indirect-to-direct band gap transition at a 5% tensile strain. A feasible synthetic route is also proposed to realize the deposition of a h-CrC monolayer on the MoSe2 substrate. The combination of these findings shows that the h-CrC monolayer is a promising candidate material for future practical applications in nanoscale electronics and spintronics.

Graphical abstract: Intrinsic ferromagnetism in 2D h-CrC semiconductors with strong magnetic anisotropy and high Curie temperatures

Supplementary files

Article information

Article type
Paper
Submitted
14 sept. 2021
Accepted
02 nov. 2021
First published
03 nov. 2021

J. Mater. Chem. C, 2021,9, 16495-16505

Intrinsic ferromagnetism in 2D h-CrC semiconductors with strong magnetic anisotropy and high Curie temperatures

K. Sheng, H. Yuan and Z. Wang, J. Mater. Chem. C, 2021, 9, 16495 DOI: 10.1039/D1TC04389G

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