Edge State Quantum Interference in Twisted Graphitic Interfaces

Oz, Annabelle; Dutta, Debopriya; Nitzan, Abraham; Hod, Oded; Koren, Elad

doi:10.1002/advs.202102261

Cited by 3 publications

(2 citation statements)

References 45 publications

(87 reference statements)

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“…[155,159] More recently, a spin-compensated TDDFT implementation of the DLvN approach that imposes open boundary conditions via the site-to-state transformation was presented. [160] While being more computationally demanding, it was found to conserve both Pauli's exclusion principle and density matrix positivity within a numerically stable scheme. First, the current dynamics of a simplified hydrogen chain model was investigated, demonstrating how current density variations can be explored using the developed approach (Figure 7).…”

Section: Extensions and Applicationsmentioning

confidence: 99%

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The Driven Liouville von Neumann Approach to Electron Dynamics in Open Quantum Systems

Hod

Kronik

2023

Israel Journal of Chemistry

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The driven Liouville von Neumann approach is a method to computationally explore electron dynamics and transport in nanoscale systems. It does so by imposing open boundary conditions on finite atomistic model systems, which drive them out of equilibrium. The approach is compatible with any underlying electronic structure treatment that can be phrased in terms of a single‐particle framework, ranging from simple tight‐binding descriptions to state‐of‐the‐art density functional theory treatments of the interacting system. In this perspective, we motivate the approach, discuss its theoretical foundations, explain its essential elements, overview recent extensions and applications, and present remaining challenges and opportunities.

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Section: Extensions and Applicationsmentioning

confidence: 99%

“…The border lines between the extended molecule section and the source and sink driven leads are located at �10:3 Å, and the seam lines between the weakly coupled molecule and the left and right segments of the EM are located at �1:2 Å, as marked by the vertical black dashed lines. Adapted with permission from Ref [160]…”

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confidence: 99%

The Driven Liouville von Neumann Approach to Electron Dynamics in Open Quantum Systems

Hod

Kronik

2023

Israel Journal of Chemistry

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Edge State Quantum Interference in Twisted Graphitic Interfaces

Dutta

Nitzan

et al. 2022

Advanced Science

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Zigzag edges in graphitic systems exhibit localized electronic states that drastically affect their properties. Here, room-temperature charge transport experiments across a single graphitic interface are reported, in which the interlayer current is confined to the contact edges. It is shown that the current exhibits pronounced oscillations of up to ≈40 μA with a dominant period of ≈5 Å with respect to lateral displacement that do not directly correspond to typical graphene lattice spacing. The origin of these features is computationally rationalized as quantum mechanical interference of localized edge states showing significant amplitude and interlayer coupling variations as a function of the interface stacking configuration. Such interference effects may therefore dominate the transport properties of low-dimensional graphitic interfaces.

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Spreading resistance and conductance anisotropy in multilayer MoS2

Vijayan,

Uzhansky,

Koren

2024

Applied Physics Letters

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The increasing interest in realizing the full potential of two-dimensional (2D) layered materials for developing electronic components strongly relies on quantitative understanding of their anisotropic electronic properties. Herein, we use conductive atomic force microscopy to study the anisotropic electrical conductance of multilayer MoS2 by measuring the spreading resistance of circular structures of different radii ranging from 150 to 400 nm. The observed inverse scaling of the spreading resistance with contact radius, with an effective resistivity of ρeff = 2.89 Ω cm, is compatible with a diffusive transport model. A successive etch of the MoS2 nanofilms was used to directly measure the out-of-plane resistivity, i.e., 29.43 ± 7.78 Ω cm. Based on the scaling theory for conduction in anisotropic materials, the model yields an in-plane resistivity of 0.28 ± 0.07 Ω cm and an anisotropy of ∼100 for the ratio between the in-plane and out-of-plane resistivities. The obtained anisotropy indicates that the probed surface area can extend up to 400 times the metal contact area, whereas the penetration depth is limited to roughly 20% of the contact radius. Hence, for contact radius less than 3 nm, the conduction will be limited to the surface. Our investigation offers important insight into the anisotropic transport behavior of MoS2, a pivotal factor enabling the design optimization of miniaturized devices based on 2D materials.

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Edge State Quantum Interference in Twisted Graphitic Interfaces

Cited by 3 publications

References 45 publications

The Driven Liouville von Neumann Approach to Electron Dynamics in Open Quantum Systems

The Driven Liouville von Neumann Approach to Electron Dynamics in Open Quantum Systems

Edge State Quantum Interference in Twisted Graphitic Interfaces

Spreading resistance and conductance anisotropy in multilayer MoS2

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