Mechanism of carrier doping induced magnetic phase transitions in two-dimensional materials

Abstract

Electrically tuning long-range magnetic orders has been realized in two-dimensional (2D) semiconductors via electrostatic doping. On the other hand, the observations are highly diverse: the transition can be realized by either electrons or holes or both depending on specific materials. Moreover, doped carriers seem to always favor the ferromagnetic (FM) ground state. The mechanism behind those diverse observations remains uncovered. Combining first-principles simulations, we analyze the spin superexchange paths of the correlated d/f orbitals around band edges and assign 2D magnetic semiconductors into three types by their projected density of states (PDOS). We find that each type of PDOS corresponds to a specific carrier-driven magnetic phase transition and the critical doping density and type of carriers can be quantitatively obtained by calculating the superexchange coupling strength. The model results are in good agreements with first-principles calculations and available measurements. After understanding the mechanism, we can design heterostructures to realize the FM to antiferromagnetic transition, which has not been realized before. This model is helpful to understand diverse measurements and expand the degrees of freedom to control long-range magnetic orders in 2D semiconductors.

arXiv comment20 pages and 5 figures

References in corpus (48)

• Restoring the density-gradient expansion for exchange in solids and surfaces
• Generalized gradient approximation for solids and their surfaces
• 2D materials and van der Waals heterostructures
• Layer-dependent Ferromagnetism in a van der Waals Crystal down to the Monolayer Limit
• Gate-tunable Room-temperature Ferromagnetism in Two-dimensional Fe${}_3$GeTe${}_2$
• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• Magnetic-field-induced quantized anomalous Hall effect in intrinsic magnetic topological insulator MnBi${}_2$Te${}_4$
• Electrical Control of 2D Magnetism in Bilayer CrI3
• Giant Tunneling Magnetoresistance in Spin-Filter van der Waals Heterostructures
• Controlling magnetism in 2D CrI3 by electrostatic doping
• Intrinsic magnetic topological insulators in van der Waals layered MnBi${}_2$Te${}_4$-family materials
• Probing magnetism in 2D van der Waals crystalline insulators via electron tunneling
• Electric-field switching of two-dimensional van der Waals magnets
• Majorana quantization and half-integer thermal quantum Hall effect in a Kitaev spin liquid
• Topological axion states in magnetic insulator MnBi${}_2$Te${}_4$ with the quantized magnetoelectric effect
• Stacking-Dependent Magnetism in Bilayer CrI${}_3$
• Unique thickness-dependent properties of the van der Waals interlayer antiferromagnet $\mathrm{MnB}{\mathrm{i}}_2\mathrm{T}{\mathrm{e}}_4$ films
• Very Large Tunneling Magnetoresistance in Layered Magnetic Semiconductor CrI${}_3$
• Electric-field control of magnetism in few-layered van der Waals magnet
• Direct observation of van der Waals stacking dependent interlayer magnetism
• Switching 2D Magnetic States via Pressure Tuning of Layer Stacking
• Pressure-controlled interlayer magnetism in atomically thin CrI3
• The monoclinic crystal structure of $\alpha$-RuCl${}_3$ and the zigzag antiferromagnetic ground state
• Probing magnetism in 2D materials at the nanoscale with single spin microscopy
• Giant and nonreciprocal second harmonic generation from layered antiferromagnetism in bilayer CrI3
• Stacking tunable interlayer magnetism in bilayer CrI3
• Gapless surface Dirac cone in antiferromagnetic topological insulator MnBi${}_2$Te${}_4$
• Half-integer quantized anomalous thermal Hall effect in the Kitaev material $\alpha$-RuCl${}_3$
• Tailoring Magnetic Anisotropy in Cr${}_2$Ge${}_2$Te${}_6$ by Electrostatic Gating
• Crystal structure and magnetism in $\alpha$-RuCl3: an ab-initio study
• Robustness of the thermal Hall effect close to half-quantization in a field-induced spin liquid state
• Realization of an intrinsic, ferromagnetic topological state in MnBi8Te13
• Physical origin of giant excitonic and magneto-optical responses in two-dimensional ferromagnetic insulators
• Interplay between interlayer exchange and stacking in CrI${}_3$ bilayers
• Microscopic understanding of magnetic interactions in bilayer CrI${}_3$
• Rational design principles of quantum anomalous Hall effect from superlattice-like magnetic topological insulators
• Layer- and doping-tunable long range ferromagnetic order-ing in two-dimensional CrS2
• Artificial Multiferroics and Enhanced Magnetoelectric Effect in van der Waals Heterostructures
• Gate-Tuned Interlayer Coupling in van der Waals Ferromagnet Fe${}_3$GeTe${}_2$ Nanoflakes
• Sample dependence of the half-integer quantized thermal Hall effect in the Kitaev candidate $\alpha$-RuCl${}_3$
• Proximate ferromagnetic state in the Kitaev model material $\alpha$-RuCl${}_3$
• Optically Driven Magnetic Phase Transition of Monolayer RuCl3
• Identification of Magnetic Interactions and High-field Quantum Spin Liquid in $\alpha$-RuCl${}_3$
• Routes to realize the axion-insulator phase in MnBi${}_2$Te${}_4$(Bi${}_2$Te${}_3$)${}_n$ family: a perspective
• Pressure-tuned intralayer exchange in superlattice-like MnBi2Te4/(Bi2Te3)n topological insulators
• Optical and magneto-optical properties of ferromagnetic monolayer CrBr${}_3$: A first-principles $GW$ and $GW$ plus Bethe-Salpeter equation study
• Interlayer Ferromagnetism and High-Temperature Quantum Anomalous Hall Effect in \textit{p}-Doped MnBi${}_2$Te${}_4$ Multilayers
• Quasiparticle Energies and Excitonic Effects of Chromium Trichloride: from Two Dimensions to Bulk

Cited by in corpus (1)

• Creating a three dimensional intrinsic electric dipole on rotated CrI${}_3$ bilayers