Great enhancement of Curie temperature and magnetic anisotropy in two-dimensional van der Waals magnetic semiconductor heterostructures

TL;DR

This study demonstrates that stacking 2D ferromagnetic semiconductors with nonmagnetic layers having strong spin-orbit coupling significantly boosts magnetic anisotropy and Curie temperature, potentially surpassing room temperature stability.

Contribution

It reveals a method to enhance magnetic anisotropy and Curie temperature in 2D magnetic semiconductors via van der Waals heterostructures, supported by DFT calculations and a theoretical model.

Findings

MAE increased by 70% in heterostructures

Curie temperature raised well above room temperature

Both Dzyaloshinskii-Moriya interaction and single-ion anisotropy contribute

Abstract

In two-dimensional (2D) magnetic systems, large magnetic anisotropy is needed to stabilize the magnetic order according to Mermin-Wagner theorem. Based on density functional theory (DFT) calculations, we propose that the magnetic anisotropic energy (MAE) of 2D ferromagnetic (FM) semiconductors can be strongly enhanced in van der Waals heterostructures by attaching a nonmagnetic semiconductor monolayer with large spin-orbit coupling. We studied Cr2Ge2Te6/PtSe2 bilayer heterostructures, where each layer has been realized in recent experiments. The DFT calculations show that the MAE of Cr2Ge2Te6/PtSe2 is enhanced by 70%, and the Curie temperature TC is increased far beyond room temperature. A model Hamiltonian is suggested to analyze the DFT results, showing that both the Dzyaloshinskii-Moriya interaction and the single-ion anisotropy contribute to the enhancement of the MAE. Based on the superexchange picture, we find that the decreased energy difference between 3d orbitals of Cr and 5p orbitals of Te contributes partially to the increase of TC. Our present work indicates a promising way to enhance the MAE and TC by constructing van der Waals semiconductor heterostructures, which will inspire further studies on the 2D magnetic semiconductor systems.