Enhanced Valley Splitting of Transition-Metal Dichalcogenide by Vacancies in Robust Ferromagnetic Insulating Chromium Trihalides

Lin, Changqing; Li, Yiran; Wei, Qilin; Shen, Qian; Cheng, Yingchun; Huang, Wei

doi:10.1021/acsami.9b04843

Cited by 32 publications

(27 citation statements)

References 40 publications

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“…2(b,c). Therefore, a TMDC/CrI 3 heterostructure shows valley polarization of the TMDC, in agreement with recent measurements 54,61 , and other first-principles calculations 78 . Inclusion of SOC effects for the large supercell structure is beyond our computational possibilites and therefore not included here.…”

Section: Band Structure Geometry and Twist Effectssupporting

confidence: 92%

Proximity exchange effects in MoSe2 and WSe2 heterostructures with CrI3 : Twist angle, layer, and gate dependence

2019

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Proximity effects in two-dimensional (2D) van der Waals heterostructures offer controllable ways to tailor the electronic band structure of adjacent materials. Proximity exchange in particular is important for making materials magnetic without hosting magnetic ions. Such synthetic magnets could be used for studying magnetotransport in high-mobility 2D materials, or magneto-optics in highly absorptive nominally nonmagnetic semiconductors. Using first-principles calculations, we show that the proximity exchange in monolayer MoSe2 and WSe2 due to ferromagnetic monolayer CrI3 can be tuned (even qualitatively) by twisting and gating. Remarkably, the proximity exchange remains the same when using antiferromagnetic CrI3 bilayer, paving the way for optical and electrical detection of layered antiferromagnets. Interestingly, the proximity exchange is opposite to the exchange of the adjacent antiferromagnetic layer. Finally, we show that the proximity exchange is confined to the layer adjacent to CrI3, and that adding a separating hBN barrier drastically reduces the proximity effect. We complement our ab initio results with tight-binding modeling and solve the Bethe-Salpeter equation to provide experimentally verifiable optical signatures (in the exciton spectra) of the proximity exchange effects.

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Section: Band Structure Geometry and Twist Effectssupporting

confidence: 92%

Proximity exchange effects in MoSe2 and WSe2 heterostructures with CrI3 : Twist angle, layer, and gate dependence

2019

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“…We preformed our own analysis of the IV data from [36] to determine relevant properties of CrI 3 such as E ex , m e , and χ. DFT calculations performed in [58], [59] showed m e ranges from 5 m e to 27 m e for CrI 3 . Although we don't expect DFT calculations to perfectly predict the true effective mass of CrI 3 , we do expect them to be accurate to within an order of magnitude.…”

Section: Appendix Bmentioning

confidence: 99%

Electrical Control of Spin-Injection Using Mixed Dimensional van der Waals Heterostructures

Tiessen

Shi

2020

IEEE Trans. Nanotechnology

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We demonstrate that van der Waals heterostructures based on CrI 3 , MoS 2 and a 3D semiconductor source may allow for all electrical control of spin polarized carrier injection into MoS 2 . We demonstrate this possibility using a simple resonant tunneling device structure and model it using the transfer matrix method. Our results show that electrically controlled spin polarized carrier injection is theoretically possible at low device bias. Index Terms-2D materials, CrI 3 , MoS 2 , In x Ga 1-x N, GaN, mixed dimensional structures, spin-polarization, van der waals heterostructures. Junxia Shi (Senior Member, IEEE) received the Ph.D. degree in electrical engineering from Cornell University, Ithaca, NY, in 2010. She is currently an Associate Professor with the Department of Electrical and Computer Engineering, University of Illinois at Chicago. She has authored and coauthored more than 70 articles and patents. Her research focuses on advanced compound semiconductor materials and devices, including gallium nitride-based power and RF devices, group III-V terahertz photodetectors, and TMDC 2D nanostructure-based valleytronics, qubits, chemical and biological sensors, etc. Professor Shi is a Senior Member of the IEEE.

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“…In practice, it is nontrivial to induce magnetism into non-magnetic 2D materials by the magnetic proximity effects or defect engineering and control them systematically and reliably. On the other hand, the development of intrinsic magnetic 2D materials have significantly been motivated by the recent experimental breakthrough, demonstrating that magnetism could sustain down to mono-layer CrI 3 and bilayer CrGeTe 3 at a lower temperature (tens of Kelvins), [1][2][3][4][5][6][7][8][9][10][11]. Broader applications require m2Dv with a higher T C , which is essentially determined by their intrinsic magnetic properties, particularly, exchange couplings and magnetocrystalline anisotropy.…”

Section: Introductionmentioning

confidence: 99%

Magnetic interactions and spin excitations in van der Waals ferromagnet VI$_3$

Gordon,

Mkhitaryan,

Zhao

et al. 2021

Preprint

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Using a combination of density functional theory (DFT) and spin-wave theory methods, we investigate the magnetic interactions and spin excitations in semiconducting VI3. Exchange parameters of monolayer, bilayer, and bulk forms are evaluated by mapping the magnetic energies of various spin configurations, calculated using DFT+U , onto the Heisenberg model. The intralayer couplings remain largely unchanged in three forms of VI3, while the interlayer couplings show stronger dependence on the dimensionality of the materials. We calculate the spin-wave spectra within a linear spin-wave theory and discuss how various exchange parameters affect the magnon bands. The magnon-magnon interaction is further incorporated, and the Curie temperature is estimated using a self-consistently renormalized spin-wave theory. To understand the roles of constituent atoms on magnetocrystalline anisotropy energy (MAE), we resolve MAE into sublattices and find that a strong negative V-I inter-sublattice contribution is responsible for the relatively small easy-axis MAE in VI3.

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Enhanced Valley Splitting of Transition-Metal Dichalcogenide by Vacancies in Robust Ferromagnetic Insulating Chromium Trihalides

Cited by 32 publications

References 40 publications

Proximity exchange effects in MoSe2 and WSe2 heterostructures with CrI3 : Twist angle, layer, and gate dependence

Proximity exchange effects in MoSe2 and WSe2 heterostructures with CrI3 : Twist angle, layer, and gate dependence

Electrical Control of Spin-Injection Using Mixed Dimensional van der Waals Heterostructures

Magnetic interactions and spin excitations in van der Waals ferromagnet VI$_3$

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