Control of the magnetic anisotropy and Curie temperature of monolayer 1T-CrTe2 for room temperature application

Author:

Yao Mengli1ORCID,Pan Jing1ORCID,Xie Weifeng1ORCID,Yang Zhencheng1,Li Min1,Wang Hui1ORCID

Affiliation:

1. School of Physics, Hunan Key Laboratory of Super Microstructure and Ultrafast Process, Hunan Key Laboratory of Nanophotonics and Devices, State Key Laboratory of Powder Metallurgy, Central South University , Changsha 410083, China

Abstract

Magnetic units with large magnetic anisotropy energy (MAE) and high Curie temperature (Tc) are crucial for spintronic and quantum computing devices, which are a persisting demand for miniaturization of magnetic units. Using first-principles calculations and Monte Carlo simulation, it is found that monolayer 1T-CrTe2 exhibits strong perpendicular magnetic anisotropy with a MAE of approximately 5.29 meV and high Tc of ∼136 K. Interestingly, we find that the MAE and Tc of monolayer 1T-CrTe2 are tunable through electron/hole doping, strain, and heterostructure engineering. The magnetic easy-axis can be adjusted from out of plane to in plane, which is mainly attributed to the coupling between Te atomic orbitals (px, py). Second-order perturbation theory reveals that the spin–orbit coupling interaction between the occupied px and unoccupied py orbitals in opposite spin channel near Fermi level gives rise to negative contribution of MAE. Moreover, Tc can be enhanced to ∼230 K through super–superexchange mechanism of heterostructure due to the electron hopping between t2g/eg orbitals of Cr4+ ions and e1/a1 orbitals of Fe2+ ions. Importantly, we find that Tc can be boosted above room temperature by applying moderate strain (6%), ascribing to significant enhancement of MAE and exchange coupling constant. The present work indicates that monolayer 1T-CrTe2-based two-dimensional materials are very promising for room temperature application in magnetic storage and information processing.

Funder

National Natural Science Foundation of China

National Talents Program of China

Distinguished Youth Foundation of Hunan Province

Project of High Level Talents Accumulation of Hunan Province

Program of Hundreds of Talents of Hunan Province

Publisher

AIP Publishing

Subject

Physics and Astronomy (miscellaneous)

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