arXiv subjects

Yufei Xue

Publications and source records attributed to Yufei Xue.

21 records · Page 2Linked to original sources

arXiv2022

Theoretical prediction of Curie temperature in two-dimensional ferromagnetic monolayer

Theoretical prediction of Curie temperature (TC) is of vital importance for designing the spintronic devices in two-dimensional (2D) ferromagnetic materials. Herein, based on the extensive investigation of Monte Carlo simulations, we summary and propose an improved method to estimate TC more precisely, which includes the different contributions of multiple near-neighbor interactions. Taking monolayer CrI3 as an example, the trends of TC with biaxial strain are investigated via Monte Carlo simulations, mean-field formulas and our method. Besides, our method is not only accurate and convenient to predicting the TC in 2D ferromagnetic honeycomb lattice CrI3 but it can be extended for predicting the TC of other 2D lattices. Our work paves the way to accelerate the prediction and discovery of novel 2D ferromagnets for spintronic applications.

cond-mat.mtrl-sci↗

arXiv2022

Strain-tunable Dzyaloshinskii--Moriya interaction and skyrmions in two-dimensional Janus Cr$_{2}$X$_{3}$Y$_{3}$ (X, Y = Cl, Br, I, X $\neq$ Y) trihalide monolayers

Recently, great effort has been devoted to the search for two-dimensional (2D) ferromagnetic materials with inherent strong Dzyaloshinskii--Moriya interaction (DMI). Here, through a first-principles approach, we systematically investigate the effect of biaxial strain on the DMI, the Heisenberg exchange interaction, and the magnetic anisotropy energy (MAE) of Janus Cr$_{2}$X$_{3}$Y$_{3}$ (X, Y = Cl, Br, I, X $\neq$ Y) monolayers. Both DMI and MAE can be significantly enhanced by tensile strain, while a reversal of the chirality of DMI in Cr$_{2}$Cl$_{3}$Br$_{3}$ and a switch of MAE from off-plane to in-plane in Cr$_{2}$I$_{3}$Cl$_{3}$ are induced by a compressive strain of $2\%$. Microscopically, DMI and MAE are associated mainly with the large spin--orbit coupling of the heavy nonmagnetic halogen atoms rather than that of the magnetic Cr atoms. In particular, the peculiar magnetic transition of Cr$_{2}$I$_{3}$Cl$_{3}$ is explained by competition between direct exchange and superexchange interactions. Micromagnetic simulations show that a small external magnetic field of 65~mT stabilizes a skyrmion with a diameter of 9.8~nm in the Cr$_2$I$_3$Cl$_3$ monolayer. Our results will provide guidance for further research on DMI and skyrmions in 2D Janus materials, as well as a basis for the potential applications in spintronic devices.

cond-mat.mtrl-sci↗

arXiv2022

Enhanced Curie temperature and skyrmion stability in room temperature ferromagnetic semiconductor CrISe monolayer

We report CrISe monolayer as a room temperature ferromagnetic semiconductor with the Curie temperature ($T_C$), magnetic anisotropy energy (MAE) and band gap being 322 K, 113 $μ$eV and 0.67 eV, respectively. The $T_C$ and MAE can be further enhanced up to 385 K and 313 $μ$eV by tensile strain. More interestingly, the magnetic easy axis can be switched between off-plane and in-plane by compressive strain. Particularly, due to the broken inversion symmetry and strong spin-orbit coupling of Se atoms, a large Dzyaloshinskii-Moriya interaction (DMI) of 2.40 meV is obtained. More importantly, by micromagnetic simulations, stable skyrmions with sub-10 nm radius are stabilized by the large DMI above room temperature in a wide range of strain from $-2\%$ to $6\%$. Our work demonstrates CrISe as a promising candidate for next-generation skyrmion-based information storage devices and provides guidance for the research of DMI and skyrmions in room temperature ferromagnetic semiconductors.

cond-mat.mtrl-sci↗