Discovery of twin orbital-order phases in ferromagnetic semiconducting VI<sub>3</sub> monolayer

Huang, Chengxi; Wu, Fang; Yu, Shun-Li; Jena, Puru; Kan, Erjun

doi:10.1039/c9cp05643b

Cited by 35 publications

(34 citation statements)

References 37 publications

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“…There is still some controversy regarding the MAE of VI 3 . 17,19,20,37,[40][41][42][43][44] By fitting the spin wave gap in the Raman spectrum, the MAE can be estimated as 2.32 meV per cell. 41 However, some MAE values with a large difference, such as 0.29 meV per cell and 31.8 meV per cell, have also been reported.…”

Section: Resultsmentioning

confidence: 99%

Valley splitting and magnetic anisotropy in two-dimensional VI₃/MSe₂ (M = W, Mo) heterostructures

Fang¹,

Zhou²,

Sun³

et al. 2022

Phys. Chem. Chem. Phys.

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Section: Resultsmentioning

confidence: 99%

Valley splitting and magnetic anisotropy in two-dimensional VI₃/MSe₂ (M = W, Mo) heterostructures

Fang¹,

Zhou²,

Sun³

et al. 2022

Phys. Chem. Chem. Phys.

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“…Theoretically, it has been demonstrated that a strain tuning can result in an enhancement of magnetic ordering temperature, or in switching of magnetic state from the ferromagnetic (FM) to an antiferromagnetic (AFM) half-semiconductor in CrI and VI monolayers and in their heterostructures 31 – 34 . Also, the Dirac half-metallicity and the twin orbital-order phases were predicted to exist in a monolayer of VI 24 , 29 .…”

Section: Introductionmentioning

confidence: 99%

Valence band electronic structure of the van der Waals ferromagnetic insulators: VI$$_3$$ and CrI$$_3$$

Kundu

Liu²,

Petrović³

et al. 2020

Sci Rep

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Ferromagnetic van der Waals (vdW) insulators are of great scientific interest for their promising applications in spintronics. It has been indicated that in the two materials within this class, CrI$$_3$$ 3 and VI$$_3$$ 3 , the magnetic ground state, the band gap, and the Fermi level could be manipulated by varying the layer thickness, strain or doping. To understand how these factors impact the properties, a detailed understanding of the electronic structure would be required. However, the experimental studies of the electronic structure of these materials are still very sparse. Here, we present the detailed electronic structure of CrI$$_3$$ 3 and VI$$_3$$ 3 measured by angle-resolved photoemission spectroscopy (ARPES). Our results show a band-gap of the order of 1 eV, sharply contrasting some theoretical predictions such as Dirac half-metallicity and metallic phases, indicating that the intra-atomic interaction parameter (U) and spin-orbit coupling (SOC) were not properly accounted for in the calculations. We also find significant differences in the electronic properties of these two materials, in spite of similarities in their crystal structure. In CrI$$_3$$ 3 , the valence band maximum is dominated by the I 5p, whereas in VI$$_3$$ 3 it is dominated by the V 3d derived states. Our results represent valuable input for further improvements in the theoretical modeling of these systems.

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“…Recently, two-dimensional (2D) van der Waals transition metal MX 2 dihalides and trihalides MX 3 with X a halogen ligand have become of interest as they exhibit layer-dependent ferromagnetism as in VI 3 [27][28][29][30][31][32], possible Kitaev spin liquid behavior in RuCl 3 [33][34][35][36][37][38] and other magnetic phenomena [39][40][41]. Additionally, the crystal and electronic structures are highly two dimensional, so the materials can be exfoliated, made in monolayer form, doped by gating and layering with other compounds, and potentially twisted into Moiré materials [42].…”

Section: Introductionmentioning

confidence: 99%

Trigonal Symmetry Breaking and its Electronic Effects in Two-Dimensional Dihalides and Trihalides

Georgescu,

Millis,

Rondinelli

2021

Preprint

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We study the consequences of the approximately trigonal (D 3d ) point symmetry of the transition metal (M) site in two-dimensional van der Waals MX2 dihalides and MX3 trihalides. The trigonal symmetry leads to a 2-2-1 orbital splitting of the transition metal d shell, which may be tuned by the interlayer distance, and changes in the ligand-ligand bond lengths. Orbital order coupled to various lower symmetry lattice modes may lift the remaining orbital degeneracies, and we explain how these may support unique electronic states using ZrI2 and CuCl2 as examples, and offer a brief overview of possible electronic configurations in this class of materials. By building and analysing Wannier models adapted to the appropriate symmetry we examine how the interplay among trigonal symmetry, electronic correlation effects, and p-d orbital charge transfer leads to insulating, orbitally polarized magnetic and/or orbital-selective Mott states. Our work establishes a rigorous framework to understand, control, and tune the electronic states in low-dimensional correlated halides. Our analysis shows that trigonal symmetry and its breaking is a key feature of the 2D halides that needs to be accounted for in search of novel electronic states in materials ranging from CrI3 to α-RuCl3.

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Discovery of twin orbital-order phases in ferromagnetic semiconducting VI₃ monolayer

Abstract: Discovery of twin orbital-order ferromagnetic semiconducting phases in VI3-like 2D systems.

Cited by 35 publications

References 37 publications

Valley splitting and magnetic anisotropy in two-dimensional VI₃/MSe₂ (M = W, Mo) heterostructures

Valley splitting and magnetic anisotropy in two-dimensional VI₃/MSe₂ (M = W, Mo) heterostructures

Valence band electronic structure of the van der Waals ferromagnetic insulators: VI$$_3$$ and CrI$$_3$$

Trigonal Symmetry Breaking and its Electronic Effects in Two-Dimensional Dihalides and Trihalides

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Discovery of twin orbital-order phases in ferromagnetic semiconducting VI3 monolayer

Abstract: Discovery of twin orbital-order ferromagnetic semiconducting phases in VI3-like 2D systems.

Cited by 35 publications

References 37 publications

Valley splitting and magnetic anisotropy in two-dimensional VI3/MSe2 (M = W, Mo) heterostructures

Valley splitting and magnetic anisotropy in two-dimensional VI3/MSe2 (M = W, Mo) heterostructures

Valence band electronic structure of the van der Waals ferromagnetic insulators: VI$$_3$$ and CrI$$_3$$

Trigonal Symmetry Breaking and its Electronic Effects in Two-Dimensional Dihalides and Trihalides

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Discovery of twin orbital-order phases in ferromagnetic semiconducting VI₃ monolayer

Valley splitting and magnetic anisotropy in two-dimensional VI₃/MSe₂ (M = W, Mo) heterostructures

Valley splitting and magnetic anisotropy in two-dimensional VI₃/MSe₂ (M = W, Mo) heterostructures