Curie Temperature of Emerging Two-Dimensional Magnetic Structures

Abstract

Recent realizations of intrinsic, long-range magnetic orders in two-dimensional (2D) van der Waals materials have ignited tremendous research interests. In this work, we employ the XXZ Heisenberg model and Monte Carlo simulations to study a fundamental property of these emerging 2D magnetic materials, the Curie temperature (Tc). By including both onsite and neighbor couplings extracted from first-principles simulations, we have calculated Tc of monolayer chromium trihalides and Cr2Ge2Te6, which are of broad interests currently, and the simulation results agree with available measurements. We also clarify the roles played by anisotropic and isotropic interactions in deciding Tc of magnetic orders. Particularly, we find a universal, linear dependence between Tc and magnetic interactions within the parameter space of realistic materials. With this linear dependence, we can predict Tc of general 2D lattice structures, omitting the Monte Carlo simulations. Compared with the widely used Ising model, mean-field theory, and spin-wave theory, this work provides a convenient and quantitative estimation of Tc, giving hope to speeding up the search for novel 2D materials with higher Curie temperatures.

arXiv comment2 tables and 6 figures

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Cited by in corpus (22)

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• High throughput computational screening for two-dimensional magnetic materials based on experimental databases of three-dimensional compounds
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• Magnetic anisotropy and exchange interactions of two-dimensional FePS${}_3$, NiPS${}_3$ and MnPS${}_3$ from first principles calculations
• Structural, electronic, and magnetic properties of CrTe2
• Monolayer CrCl${}_3$ as an ideal Test Bed for the Universality Classes of 2D Magnetism
• Emergence of electric-field-tunable interfacial ferromagnetism in 2D antiferromagnet heterostructures
• Anisotropic magnetocaloric effect of CrI${}_3$: A theoretical study
• Magnetic order in the computational 2D materials database (C2DB) from high throughput spin spiral calculations
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• On-site and inter-site Hubbard corrections in magnetic monolayers: The case of FePS${}_3$ and CrI${}_3$
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• Importance of electronic correlations for the magnetic properties of the two-dimensional ferromagnet CoBr${}_2$
• Delving into the anisotropic interlayer exchange in bilayer CrI${}_3$
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• Electrically tunable room-temperature ferromagnetism in CrBr${}_3$
• The Pair Approximation method for the ferromagnetic Heisenberg model with spin $S=1$ and arbitrary range of interactions. Application for the magnetic semiconductor CrIAs
• Monolayer Fe${}_3$GaX${}_2$ (X=I, Br, Sb): high-temperature two-dimensional magnets and a novel partially ordered spin state
• Multi-Meron Interactions and Statistics in Two-Dimensional Materials