Magnetic ground state of semiconducting transition-metal trichalcogenide monolayers

Sivadas, Nikhil; Daniels, Matthew W.; Swendsen, Robert H.; Okamoto, Satoshi; Xiao, Di

doi:10.1103/physrevb.91.235425

Cited by 409 publications

(403 citation statements)

References 48 publications

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“…There are good candidate materials, e.g., trichalcogenides M X X 3 (M : transition metal, X: chalcogen, X = P, Si, Ge) [44,45]. We have predicted several new phenomena related with the staggered electronic ordering, such as the spinorbital orders.…”

Section: Summary and Concluding Remarksmentioning

confidence: 99%

Emergent spin-valley-orbital physics by spontaneous parity breaking

Hayami

Kusunose

Motome

2016

J. Phys.: Condens. Matter

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Abstract. The spin-orbit coupling in the absence of spatial inversion symmetry plays an important role in realizing intriguing electronic states in solids, such as topological insulators and unconventional superconductivity. Usually, the inversion symmetry breaking is inherent in the lattice structures, and hence, it is not easy to control these interesting properties by external parameters. We here theoretically investigate the possibility of generating the spin-orbital entanglement by spontaneous electronic ordering caused by electron correlations. In particular, we focus on the centrosymmetric lattices with local asymmetry at the lattice sites, e.g., zig-zag, honeycomb, and diamond structures. In such systems, conventional staggered orders, such as charge order and antiferromagnetic order, break the inversion symmetry and activate the antisymmetric spin-orbit coupling, which is hidden in a sublatticedependent form in the paramagnetic state. Considering a minimal two-orbital model on a honeycomb lattice, we scrutinize the explicit form of the antisymmetric spinorbit coupling for all the possible staggered charge, spin, orbital, and spin-orbital orders. We show that the complete table is useful for understanding of spin-valleyorbital physics, such as spin and valley splitting in the electronic band structure and generalized magnetoelectric responses in not only spin but also orbital and spin-orbital channels, reflecting in peculiar magnetic, elastic, and optical properties in solids.

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Section: Summary and Concluding Remarksmentioning

confidence: 99%

Emergent spin-valley-orbital physics by spontaneous parity breaking

Hayami

Kusunose

Motome

2016

J. Phys.: Condens. Matter

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“…As the observed MOKE is very sensitive to the underlying magnetic order, it can be used to identify the magnetic ground state. Not only can this method distinguish between ferromagnets and antiferromagnets, but it can be also used to distinguish among different antiferromagnetic orders, such as Néel, zigzag and stripy order on a honeycomb lattice [6], supplemented by symmetry analysis and band structure calculations. This is especially valuable for 2D materials since neutron scattering is ineffective for these materials due to the small scattering cross section.…”

Section: (D) and Its Insert]mentioning

confidence: 99%

“…Recent theoretical and experimental progress has identified several layered compounds as promising candidates to host magnetism in their thinfilm limit [5][6][7][8][9][10]. One of them is MnPSe 3 , a semiconductor with collinear antiferromagnetic order within each layer.…”

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confidence: 99%

Gate-Controllable Magneto-optic Kerr Effect in Layered Collinear Antiferromagnets

2016

Self Cite

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Using symmetry arguments and a tight-binding model, we show that for layered collinear antiferromagnets, magneto-optic effects can be generated and manipulated by controlling crystal symmetries through a gate voltage. This provides a promising route for electric field manipulation of the magneto-optic effects without modifying the underlying magnetic structure. We further demonstrate the gate control of magneto-optic Kerr effect (MOKE) in bilayer MnPSe3 using first-principles calculations. The field-induced inversion symmetry breaking effect leads to gate-controllable MOKE whose direction of rotation can be switched by the reversal of the gate voltage.PACS numbers: 75.50. Ee,75.70.Ak,78.20.Ls,85.70.Sq Magneto-optic effects are one of the defining features of time-reversal (T ) symmetry breaking in matter. Usually, the T symmetry is broken either by an external magnetic field, or by the spontaneous appearance of a macroscopic magnetization such as in ferromagnets. Similar to their ferromagnetic counterparts, the T symmetry is also broken in antiferromagnets. However, because of their vanishing net magnetization one would naively expect an absence of magneto-optic effects in antiferromagnets. This assumption has been recently challenged by the theoretical demonstration of a rather large magneto-optic Kerr effect (MOKE) in certain non-collinear antiferromagnets with zero net magnetization [1]. This effect is closely related to the anomalous Hall effect predicted in the same class of materials [2,3], both of which are dictated by the absence of certain crystal symmetries. The appearance of magneto-optic effects in antiferromagnets is of intrinsic interest, since it would allow direct detection of the magnetic order and therefore could be useful for antiferromagnets-based memory devices [4].While non-collinear antiferromagnets have been the focus of recent interest [1][2][3], in this Letter we show that magneto-optic effects can also exist in the more commonly available collinear antiferromagnets. We start by analyzing the general symmetry requirements for magneto-optic effects, and demonstrate the symmetry principles by constructing a tight-binding model with a collinear Néel type order. We show that, contrary to the general belief, lifting the spin degeneracy of the energy bands is not a sufficient condition to generate magnetooptic effects; it is the crystal symmetry that actually controls these effects.Based on this understanding, we predict that a perpendicular electric field can be used to generate and control the MOKE in layered antiferromagnets using firstprinciples calculations. Recent theoretical and experimental progress has identified several layered compounds as promising candidates to host magnetism in their thinfilm limit [5][6][7][8][9][10]. One of them is MnPSe 3 , a semiconductor with collinear antiferromagnetic order within each layer. We show that the field-induced inversion (I) symmetry breaking in bilayer MnPSe 3 gives rise to a MOKE whose direction of rotation can be switched by the reversal...

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“…This is possible when the layers composing the crystal are held together by weak van der Waals bonds so they can be mechanically separated or exfoliated by chemical intercalation routes [3]. This led to the identification and study of CrSiTe 3 and CrGeTe 3 [4][5][6][7]. These are small band gap semiconductors with Curie temperatures of 33 K for CrSiTe 3 [8] and 61 K for CrGeTe 3 [9].…”

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

246

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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Magnetic ground state of semiconducting transition-metal trichalcogenide monolayers

Cited by 409 publications

References 48 publications

Emergent spin-valley-orbital physics by spontaneous parity breaking

Emergent spin-valley-orbital physics by spontaneous parity breaking

Gate-Controllable Magneto-optic Kerr Effect in Layered Collinear Antiferromagnets

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

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