Magnetization, Resonance, and Optical Properties of the Ferromagnet CrI3

Dillon, J. F.; Olson, C. E.

doi:10.1063/1.1714194

Cited by 161 publications

(140 citation statements)

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“…Therefore, these atomically thin magnetic materials are currently subject to intensive investigations. In fact, bulk CrI 3 has already been well studied experimentally in the past [3][4][5] mainly because it is a layered ferromagnetic semiconductor with large Kerr and Faraday rotations which promise such device applications as optical insulators, magnetic sensors and rewritable optical memories [6]. Its 2D magnetic structures are presently thus there are two formula units (fu) per lateral unit cell.…”

Section: Introductionmentioning

confidence: 99%

Magnetism and magneto-optical effects in bulk and few-layer CrI₃: a theoretical GGA + U study

Gudelli

Guo

2019

New J. Phys.

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The latest discovery of ferromagnetism in atomically thin films of semiconductors Cr 2 Ge 2 Te 6 and CrI 3 has unleashed numerous opportunities for fundamental physics of magnetism in twodimensional (2D) limit and also for technological applications based on 2D magnetic materials. To exploit these 2D magnetic materials, however, the mechanisms that control their physical properties should be thoroughly understood. In this paper, we present a comprehensive theoretical study of the magnetic, electronic, optical and magneto-optical (MO) properties of multilayers (monolayer (ML), bilayer (BL) and trilayer) as well as bulk CrI 3 , based on the density functional theory with the generalized gradient approximation plus on-site Coulomb repulsion scheme. Interestingly, all the structures except the BL, are found to be single-spin ferromagnetic semiconductors. They all have a large out-of-plane magnetic anisotropy energy (MAE) of ∼0.5 meV/Cr, in contrast to the significantly thickness-dependent MAE in multilayers of Cr 2 Ge 2 Te 6 . These large MAEs suppress transverse spin fluctuations and thus stabilize long-range magnetic orders at finite temperatures down to the ML limit. They also exhibit strong MO effects with their Kerr and Faraday rotation angles being comparable to that of best-known bulk MO materials. The shape and position of the main features in the optical and MO spectra are found to be nearly thickness-independent although the magnitude of Kerr rotation angles increases monotonically with the film thickness. Magnetic transition temperatures estimated based on calculated exchange coupling parameters, calculated optical conductivity spectra, MO Kerr and Faraday rotation angles agree quite well with available experimental data. The calculated MAE as well as optical and MO properties are analyzed in terms of the calculated orbital-decomposed densities of states, band state symmetries and dipole selection rules. Our findings of large out-of-plane MAEs and strong MO effects in these single-spin ferromagnetic semiconducting CrI 3 ultrathin films suggest that they will find valuable applications in semiconductor MO and spintronic nanodevices. attracting much renewed interest. For example, Seyler et al [7] recently reported their observation of magnetophotoluminescence in monolayer and bilayer CrI 3 . Excitingly, manipulation of 2D magnetism (e.g. switching of magnetization direction and tuning antiferromagnetic to ferromagnetic transition) in BL CrI 3 by either applying a vertical electric field [8,9] or electrostatic doping [10] has also been recently demonstrated. Further, giant tunneling magnetoresistance has been observed in magnetic tunnel junctions made of atomically thin CrI 3 and other van der Waals (vdW) materials [11,12]. Unprecedented control of spin and valley pseudospin in ultrathin CrI 3 and WSe 2 hetrostructures has also been demonstrated [13].In order to exploit these emergent phenomena for various applications, the mechanisms that control the physical properties of these 2D materials should be thorou...

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Section: Introductionmentioning

confidence: 99%

Magnetism and magneto-optical effects in bulk and few-layer CrI₃: a theoretical GGA + U study

Gudelli

Guo

2019

New J. Phys.

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“…Reported values are 2.7-3.2 µ B for CrCl 3 [133], 3 µ B for CrBr 3 [130], and 3.1 µ B for CrI 3 [16,132]. Significant magnetic anisotropy is observed in the ferromagnetic state of CrI 3 ; the anisotropy field, the field required to rotate the ordered moments away from the c-axis and into the ab-plane, is found to be near 30 kOe near 2 K [16,132]. Ferromagnetic CrBr 3 has a significantly lower anisotropy field of about 5 kOe [130,131].…”

Section: Crxmentioning

confidence: 99%

Crystal and Magnetic Structures in Layered, Transition Metal Dihalides and Trihalides

2017

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Materials composed of two dimensional layers bonded to one another through weak van der Waals interactions often exhibit strongly anisotropic behaviors and can be cleaved into very thin specimens and sometimes into monolayer crystals. Interest in such materials is driven by the study of low dimensional physics and the design of functional heterostructures. Binary compounds with the compositions MX 2 and MX 3 where M is a metal cation and X is a halogen anion often form such structures. Magnetism can be incorporated by choosing a transition metal with a partially filled d-shell for M, enabling ferroic responses for enhanced functionality. Here a brief overview of binary transition metal dihalides and trihalides is given, summarizing their crystallographic properties and long-range-ordered magnetic structures, focusing on those materials with layered crystal structures and partially filled d-shells required for combining low dimensionality and cleavability with magnetism.

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“…Chromium triiodide, and transition metal halides in general [17], have also been put forth as candidates for cleavable magnetic materials [18][19][20][21]. Experimentally, CrI 3 is a ferromagnet with T C = 61 K [18,22,23], CrBr 3 is a ferromagnet with T C = 37 K [24], and CrCl 3 is an antiferromagnet with an ordering temperature near 17 K [25,26]. Several theoretical studies have been recently published on chromium trihalides addressing bulk magnetic properties and behavior in monolayer form [18-21, 27, 28], and also on VCl 3 and VI 3 , which are predicted to be ferromagnetic and Dirac half-metals [29].…”

Section: Introductionmentioning

confidence: 99%

Magnetic behavior and spin-lattice coupling in cleavable van der Waals layered CrCl3 crystals

McGuire

Clark

et al. 2017

Phys. Rev. Materials

262

155

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CrCl3 is a layered insulator that undergoes a crystallographic phase transition below room temperature and orders antiferromagnetically at low temperature. Weak van der Waals bonding between the layers and ferromagnetic in-plane magnetic order make it a promising material for obtaining atomically thin magnets and creating van der Waals heterostructures. In this work we have grown crystals of CrCl3, revisited the structural and thermodynamic properties of the bulk material, and explored mechanical exfoliation of the crystals. We find two distinct anomalies in the heat capacity at 14 and 17 K confirming that the magnetic order develops in two stages on cooling, with ferromagnetic correlations forming before long range antiferromagnetic order develops between them. This scenario is supported by magnetization data. A magnetic phase diagram is constructed from the heat capacity and magnetization results. We also find an anomaly in the magnetic susceptibility at the crystallographic phase transition, indicating some coupling between the magnetism and the lattice. First principles calculations accounting for van der Waals interactions also indicate spin-lattice coupling, and find multiple nearly degenerate crystallographic and magnetic structures consistent with the experimental observations. Finally, we demonstrate that monolayer and few-layer CrCl3 specimens can be produced from the bulk crystals by exfoliation, providing a path for the study of heterostructures and magnetism in ultrathin crystals down to the monolayer limit.

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Magnetization, Resonance, and Optical Properties of the Ferromagnet CrI3

Cited by 161 publications

References 5 publications

Magnetism and magneto-optical effects in bulk and few-layer CrI₃: a theoretical GGA + U study

Magnetism and magneto-optical effects in bulk and few-layer CrI₃: a theoretical GGA + U study

Crystal and Magnetic Structures in Layered, Transition Metal Dihalides and Trihalides

Magnetic behavior and spin-lattice coupling in cleavable van der Waals layered CrCl3 crystals

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Magnetization, Resonance, and Optical Properties of the Ferromagnet CrI3

Cited by 161 publications

References 5 publications

Magnetism and magneto-optical effects in bulk and few-layer CrI3: a theoretical GGA + U study

Magnetism and magneto-optical effects in bulk and few-layer CrI3: a theoretical GGA + U study

Crystal and Magnetic Structures in Layered, Transition Metal Dihalides and Trihalides

Magnetic behavior and spin-lattice coupling in cleavable van der Waals layered CrCl3 crystals

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Product

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Magnetism and magneto-optical effects in bulk and few-layer CrI₃: a theoretical GGA + U study

Magnetism and magneto-optical effects in bulk and few-layer CrI₃: a theoretical GGA + U study