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Origins of genuine Ohmic van der Waals contact between indium and MoS2

TLDR
In this paper, the authors report the fabrication of ultraclean Ohmic van der Waals (vdW) contacts between indium (In) and molybdenum disulfide (MoS2) and the clarification of the atomistic origins of its Ohmic-like transport properties.
Abstract
The achievement of ultraclean Ohmic van der Waals (vdW) contacts at metal/transition-metal dichalcogenide (TMDC) interfaces would represent a critical step for the development of high-performance electronic and optoelectronic devices based on two-dimensional (2D) semiconductors Herein, we report the fabrication of ultraclean vdW contacts between indium (In) and molybdenum disulfide (MoS2) and the clarification of the atomistic origins of its Ohmic-like transport properties Atomically clean In/MoS2 vdW contacts are achieved by evaporating In with a relatively low thermal energy and subsequently cooling the substrate holder down to ~100 K by liquid nitrogen We reveal that the high-quality In/MoS2 vdW contacts are characterized by a small interfacial charge transfer and the Ohmic-like transport based on the field-emission mechanism over a wide temperature range from 24 to 300 K Accordingly, the contact resistance reaches ~600 Ω μm and ~1000 Ω μm at cryogenic temperatures for the few-layer and monolayer MoS2 cases, respectively Density functional calculations show that the formation of large in-gap states due to the hybridization between In and MoS2 conduction band edge states is the microscopic origins of the Ohmic charge injection We suggest that seeking a mechanism to generate strong density of in-gap states while maintaining the pristine contact geometry with marginal interfacial charge transfer could be a general strategy to simultaneously avoid Fermi-level pinning and minimize contact resistance for 2D vdW materials

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Fermi Level Pinning Dependent 2D Semiconductor Devices: Challenges and Prospects

TL;DR: In this article , the impact of Fermi level pinning (FLP) on 2D semiconductor devices has been investigated by exploring various origins responsible for the FLP, effects of FLP on two-dimensional device performances, and methods for improving metallic contact to 2D materials.
Journal ArticleDOI

Direct Optoelectronic Imaging of 2D Semiconductor-3D Metal Buried Interfaces.

TL;DR: In this article, the authors report the direct measurement of electrical and optical responses of 2D semiconductor-metal buried interfaces using a recently developed metal-assisted transfer technique to expose the buried interface, which is then directly investigated using scanning probe techniques.
Journal ArticleDOI

Enhanced Performance of WS2 Field-Effect Transistor through Mono and Bilayer h-BN Tunneling Contacts.

TL;DR: In this paper , a strategy to overcome contact resistance and surface contamination by inserting a monolayer of hexagonal boron nitride (h-BN) at the chromium and tungsten disulfide interface is introduced.
References
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Journal ArticleDOI

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

TL;DR: The revised DFT-D method is proposed as a general tool for the computation of the dispersion energy in molecules and solids of any kind with DFT and related (low-cost) electronic structure methods for large systems.
Journal ArticleDOI

Efficient pseudopotentials for plane-wave calculations

TL;DR: It is found that these pseudopotentials are extremely efficient for the cases where the plane-wave expansion has a slow convergence, in particular, for systems containing first-row elements, transition metals, and rare-earth elements.
Journal ArticleDOI

Ground state of the electron gas by a stochastic method

TL;DR: An exact stochastic simulation of the Schroedinger equation for charged Bosons and Fermions was used to calculate the correlation energies, to locate the transitions to their respective crystal phases at zero temperature within 10%, and to establish the stability at intermediate densities of a ferromagnetic fluid of electrons.
Journal ArticleDOI

The SIESTA method for ab initio order-N materials simulation

TL;DR: In this paper, a selfconsistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical linear combination of atomic orbitals basis set, which includes multiple-zeta and polarization orbitals, was developed and implemented.
Journal ArticleDOI

Boron nitride substrates for high-quality graphene electronics

TL;DR: Graphene devices on h-BN substrates have mobilities and carrier inhomogeneities that are almost an order of magnitude better than devices on SiO(2).
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