Electrical tuning of the magnetic properties of 2D magnets: the case of ${\mathrm{Cr}}_2{\mathrm{Ge}}_2{\mathrm{Te}}_6$

Abstract

Motivated by growing interest in atomically-thin van der Waals magnetic materials, we present an {\it ab initio} theoretical study of the dependence of their magnetic properties on the electron/hole density $\rho$ induced via the electrical field effect. By focusing on the case of monolayer ${\mathrm{Cr}}_2{\mathrm{Ge}}_2{\mathrm{Te}}_6$ (a prototypical 2D Ising ferromagnet) and employing a hybrid functional, we first study the dependence of the gap and effective mass on the carrier concentration $\rho$. We then investigate the robustness of magnetism by studying the dependencies of the exchange couplings and magneto-crystalline anisotropy energy (MAE) on $\rho$. In agreement with experimental results, we find that magnetism displays a bipolar electrically-tunable character, which is, however, much more robust for hole ($\rho >0$) rather than electron ($\rho <0$) doping. Indeed, the MAE vanishes for an electron density $\rho \approx -7.5\times 10^{13}\mathrm{e}\times {\mathrm{cm}}^{-2}$, signalling the failure of a localized description based on a Heisenberg-type anisotropic spin Hamiltonian. This is in agreement with the rapid increase of the coupling between fourth-neighbor atoms with increasing electron density.

arXiv comment13 pages, 11 figures

References in corpus (63)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Van der Waals heterostructures
• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Layer-dependent Ferromagnetism in a van der Waals Crystal down to the Monolayer Limit
• Discovery of intrinsic ferromagnetism in 2D van der Waals crystals
• Maximally-localized generalized Wannier functions for composite energy bands
• A linear response approach to the calculation of the effective interaction parameters in the LDA+U method
• Optimized norm-conserving Vanderbilt pseudopotentials
• Gate-tunable Room-temperature Ferromagnetism in Two-dimensional Fe${}_3$GeTe${}_2$
• Maximally-localized Wannier functions for entangled energy bands
• Quantum ESPRESSO toward the exascale
• Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
• Magnetic 2D materials and heterostructures
• Two-Dimensional Itinerant Ising Ferromagnetism in Atomically thin Fe3GeTe2
• Electrical Control of 2D Magnetism in Bilayer CrI3
• Optimization Algorithm for the Generation of ONCV Pseudopotentials
• Giant Tunneling Magnetoresistance in Spin-Filter van der Waals Heterostructures
• Thermal Contraction and Disordering of the Al(110) Surface
• Controlling magnetism in 2D CrI3 by electrostatic doping
• Probing magnetism in 2D van der Waals crystalline insulators via electron tunneling
• Electric-field switching of two-dimensional van der Waals magnets
• 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
• Probing magnetism in 2D materials at the nanoscale with single spin microscopy
• Predicting the Spin-Lattice Order of Frustrated Systems from First-Principles
• Density functional perturbation theory for gated two-dimensional heterostructures: Theoretical developments and application to flexural phonons in graphene
• Magnon-assisted tunnelling in van der Waals heterostructures based on CrBr3
• One million percent tunnel magnetoresistance in a magnetic van der Waals heterostructure
• Tailoring Magnetic Anisotropy in Cr${}_2$Ge${}_2$Te${}_6$ by Electrostatic Gating
• Giant enhancement of interlayer exchange in an ultrathin 2D magnet
• Intrinsic 2D-XY ferromagnetism in a van der Waals monolayer
• Extended DFT+U+V method with on-site and inter-site electronic interactions
• Collective modes of a helical liquid
• Voltage Control of a van der Waals Spin-Filter Magnetic Tunnel Junction
• Van der Waals spin valves
• Physical origin of giant excitonic and magneto-optical responses in two-dimensional ferromagnetic insulators
• Magnetic Two-Dimensional Chromium Trihalides: A Theoretical Perspective
• First-principles theory of field-effect doping in transition-metal dichalcogenides: Structural properties, electronic structure, Hall coefficient, and electrical conductivity
• Gate-tunable spin waves in antiferromagnetic atomic bilayers
• Quantum Nanophotonics in Two-Dimensional Materials
• Micromagnetometry of two-dimensional ferromagnets
• Long Range Intrinsic Ferromagnetism in Two Dimensional Materials and Dissipationless Future Technologies
• Raman fingerprint of two terahertz spin wave branches in a two-dimensional honeycomb Ising ferromagnet
• Calculating critical temperatures for ferromagnetic order in two-dimensional materials
• Indirect RKKY interaction in any dimensionality
• Out- versus in-plane magnetic anisotropy of free Fe and Co nanocrystals: tight-binding and first-principles studies
• Ab initio methodology for magnetic exchange parameters: \\Generic four-state energy mapping on Heisenberg spin Hamiltonian
• Electrochemical doping of few layer ZrNCl from first-principles: electronic and structural properties in field-effect configuration
• Electron correlation effects on exchange interactions and spin excitations in 2D van der Waals materials
• Direct observation of the energy gain underpinning ferromagnetic superexchange in the electronic structure of CrGeTe${}_3$
• Electronic structure and magnetic properties of few-layer Cr${}_2$Ge${}_2$Te${}_6$: the key role of nonlocal electron-electron interaction effects
• Strain and electric-field control of spin-spin interactions in monolayer CrI${}_3$
• Gate-controlled Magnetotransport and Electrostatic Modulation of Magnetism in 2D magnetic semiconductor CrPS${}_4$
• Magnetic polaron and antiferro-ferromagnetic transition in doped bilayer CrI${}_3$
• Scattering-induced and highly tunable by gate damping-like spin-orbit torque in graphene doubly proximitized by two-dimensional magnet Cr${}_2$Ge${}_2$Te${}_6$ and WS${}_2$
• Strongly coupled magnon-plasmon polaritons in graphene- 2D ferromagnet heterostructures
• Role of non-locality in exchange-correlation for magnetic 2D van der Waals materials
• Magnon-Plasmon Hybridization Mediated by Spin-Orbit Interaction in Magnetic Materials
• Plasmon-magnon interactions in two-dimensional honeycomb magnets
• Topological spin-plasma waves
• Field-effect-driven half-metallic multilayer graphene
• Delving into the anisotropic interlayer exchange in bilayer CrI${}_3$

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