Two-dimensional Janus monolayers with tunable electronic and magnetic properties

Mukherjee, Tista; Kar, Subhasmita; Ray, S. J.

doi:10.1557/s43578-022-00753-5

Cited by 8 publications

(4 citation statements)

References 53 publications

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“…In order to overcome the suppression of magnetic order in monolayer (ML) limit, one can count on the magnetic anisotropy [5], and on the experimental side based on the magneto-optical Kerr effect, MW theorem was only recently beaten by the discovery of feromagnetism in ML materials CrI 3 [6] and Cr 2 Ge 2 Te 6 [7]. Since then, intrinsic long-range magnetic order in 2D has been reported for a wide variety of material class, including van der Vaals (vdW) crystals [8][9][10], FM semiconductors [11][12][13][14], antiFM (AFM) semiconductors [15][16][17][18], FM and AFM metals [19][20][21][22][23], and hetero-structures, as well as Janus MLs [24][25][26].…”

Section: Introductionmentioning

confidence: 99%

Investigation of stabilization and survival of skyrmion vortices in the presence of magnetic field disorder in two-dimensional lattices: a case study for Janus dichalcogenides

Yüksel

2024

J. Phys. D: Appl. Phys.

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As a result of the lack of inversion symmetry, very large Dzyaloshinskii-Moriya interaction (DMI) has been reported for a series of Janus monolayers of manganese dichalcogenides within the framework of first-principles calculations (Liang et al. \textit{Phys. Rev. B} \textbf{101}, 184401 (2020)). However, from the viewpoint of potential applications, the current ongoing research mainly focuses on the magnetism in pristine 2D materials exhibiting non-zero DMI, and the effects of disorder in such systems remain an open problem since the influence of randomness may create some drastic effects on the magnetism of low dimensional systems.Here,we present Monte Carlo simulation results regarding the magnetic properties of a two-dimensional manganese based Janus dichalcogenide material $\mathrm{MnSTe}$ in the presence of quenched random magnetic fields where the local field variables have been sampled from a Gaussian distribution. For the selected benchmark material,it has been found that the magnetic skyrmion vortexes emerging at $(10K,3T)$ may survive in the presence of weak and moderate quenched randomness which is important from viewpoint of technological applications.Both in the pristine and random field cases, the stabilization of magnetic skyrmions are achieved by the major contribution of the ferromagnetic exchange energy to the total energy of the system, and the materials exhibiting large DMI/exchange ratios may exhibit resilient magnetic skyrmion vortexes in the presence of weak and moderate amount of randomness.

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Section: Introductionmentioning

confidence: 99%

Investigation of stabilization and survival of skyrmion vortices in the presence of magnetic field disorder in two-dimensional lattices: a case study for Janus dichalcogenides

Yüksel

2024

J. Phys. D: Appl. Phys.

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“…7−10 Even beyond that, magnetic materials have the capability to form smart artificial van der Waals heterostructures in combination with other nonmagnetic, ferroelectric, and topological insulators. 11−14 Some of the important members of this ferromagnetic materials are CrI 3 , 15 VSeTe, 16 Cr 2 Ge 2 Te 6 , 17 VIBr 2 , 18 VClBrI, 19 VClI 2, 20 CrOBr, 21 etc. which hold remarkable promise for 2D spin circuit design.…”

Section: Introductionmentioning

confidence: 99%

“…The development of 2D materials often requires special conditions and strict protocols, such as controlled high temperatures, precursors, special catalytic substrates with specific lattice parameters, and many more. However, different methods have been developed to transfer these materials from the growth substrates onto the target substrate, facilitating their utilization in diverse technological applications. , The 2D intrinsic magnets are much more interesting due to their sustainable magnetic ordering, distinctive magnetoanisotropic energy (MAE), and easily tunable electronic and optical properties. − Even beyond that, magnetic materials have the capability to form smart artificial van der Waals heterostructures in combination with other nonmagnetic, ferroelectric, and topological insulators. − Some of the important members of this ferromagnetic materials are CrI 3 , VSeTe, Cr 2 Ge 2 Te 6 , VIBr 2 , VClBrI, VClI 2, CrOBr, etc. which hold remarkable promise for 2D spin circuit design.…”

Section: Introductionmentioning

confidence: 99%

Machine Learning-Assisted Exploration of Intrinsically Spin-Ordered Two-Dimensional (2D) Nanomagnets

Kar,

Ray

2024

ACS Appl. Mater. Interfaces

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The existence of spontaneous spin-ordering in twodimensional (2D) nanomagnets holds significant importance due to their several unique and promising properties that distinguish them from conventional 2D materials. In recent times, machine learning (ML) has emerged as a powerful tool for effectively exploring and identifying the optimal 2D materials for specific applications or properties within a limited span of time. Here, we have introduced ML-accelerated approaches to specifically estimate the properties, such as the HSE bandgap and magnetoanisotropic energy (MAE) of 2D magnetic materials. Supervised ML algorithms were employed to derive the descriptors that are capable of predicting the properties of intrinsic 2D magnetic materials. Furthermore, the feature selection score is also calculated to reduce the feature space complexity and improve the model accuracy. The input features were obtained from the C2DB database, and models were constructed using linear regression, Lasso, decision tree, random forest, XG Boost, and support vector machine algorithms. The random forest model predicted the HSE band gaps with an unprecedented low root-mean-square error (RMSE) of 0.22 eV, while the linear regression gives the best fit with RMSEs of 0.25 and 0.22 meV for the MAE(x) and MAE(y), respectively. Therefore, the integration of interpretable analytical models with density functional theory offers a swift and reliable approach for uncovering the properties of intrinsic 2D magnetic materials. This collaborative methodology not only ensures speed in analysis but also enriches the material space.

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“…Therefore, they were widely synthesized by various experimental methods, including chemical vapor deposition (CVD) 16 , physical vapor deposition (PVD) 17 , mechanical exploitation (ME) 18 , and hydrothermal synthesis 19 etc. In addition to this, 2D Janus materials (such as 2D Janus TMDs) are also dragging tremendous attention due to their unique structural, physical, and chemical properties 20 , which differ from conventional 2D materials. Recent studies also demonstrate the successful synthesis of 2D Janus MoSSe and WSSe monolayers by modified CVD technique 21 .…”

Section: Introductionmentioning

confidence: 99%

Twist-assisted optoelectronic phase control in two-dimensional (2D) Janus heterostructures

Kar,

Kumari,

Kamalakar

et al. 2023

Sci Rep

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Atomically thin two-dimensional (2D) Janus materials and their Van der Waals heterostructures (vdWHs) have emerged as a new class of intriguing semiconductor materials due to their versatile application in electronic and optoelectronic devices. Herein, We have invstigated most probable arrangements of different inhomogeneous heterostructures employing one layer of transition metal dichalcogenide, TMD (MoS2, WS2, MoSe2, and WSe2) piled on the top of Janus TMD (MoSeTe or WSeTe) and investigated their structural, electronic as well as optical properties through first-principles based calculations. After that, we applied twist engineering between the monolayers from 0$$^{\circ } \rightarrow$$ ∘ → 60$$^{\circ }$$ ∘ twist angle, which delivers lattice reconstruction and improves the performance of the vdWHs due to interlayer coupling. The result reveals that all the proposed vdWHs are dynamically and thermodynamically stable. Some vdWHs such as MoS2/MoSeTe, WS2/WSeTe, MoS2/WSeTe, MoSe2/MoSeTe, and WS2/MoSeTe exhibit direct bandgap with type-II band alignment at some specific twist angle, which shows potential for future photovoltaic devices. Moreover, the electronic property and carrier mobility can be effectively tuned in the vdWHs compared to the respective monolayers. Furthermore, the visible optical absorption of all the Janus vdWHs at $$\theta$$ θ = 0$$^{\circ }$$ ∘ can be significantly enhanced due to the weak inter-layer coupling and redistribution of the charges. Therefore, the interlayer twisting not only provides an opportunity to observe new exciting properties but also gives a novel route to modulate the electronic and optoelectronic properties of the heterostructure for practical applications.

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Two-dimensional Janus monolayers with tunable electronic and magnetic properties

Cited by 8 publications

References 53 publications

Investigation of stabilization and survival of skyrmion vortices in the presence of magnetic field disorder in two-dimensional lattices: a case study for Janus dichalcogenides

Investigation of stabilization and survival of skyrmion vortices in the presence of magnetic field disorder in two-dimensional lattices: a case study for Janus dichalcogenides

Machine Learning-Assisted Exploration of Intrinsically Spin-Ordered Two-Dimensional (2D) Nanomagnets

Twist-assisted optoelectronic phase control in two-dimensional (2D) Janus heterostructures

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