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Title: Prospects of zero Schottky barrier height in a graphene-inserted MoS{sub 2}-metal interface

Abstract

A low Schottky barrier height (SBH) at source/drain contact is essential for achieving high drive current in atomic layer MoS{sub 2}-channel-based field effect transistors. Approaches such as choosing metals with appropriate work functions and chemical doping are employed previously to improve the carrier injection from the contact electrodes to the channel and to mitigate the SBH between the MoS{sub 2} and metal. Recent experiments demonstrate significant SBH reduction when graphene layer is inserted between metal slab (Ti and Ni) and MoS{sub 2}. However, the physical or chemical origin of this phenomenon is not yet clearly understood. In this work, density functional theory simulations are performed, employing pseudopotentials with very high basis sets to get insights of the charge transfer between metal and monolayer MoS{sub 2} through the inserted graphene layer. Our atomistic simulations on 16 different interfaces involving five different metals (Ti, Ag, Ru, Au, and Pt) reveal that (i) such a decrease in SBH is not consistent among various metals, rather an increase in SBH is observed in case of Au and Pt; (ii) unlike MoS{sub 2}-metal interface, the projected dispersion of MoS{sub 2} remains preserved in any MoS{sub 2}-graphene-metal system with shift in the bands on the energymore » axis. (iii) A proper choice of metal (e.g., Ru) may exhibit ohmic nature in a graphene-inserted MoS{sub 2}-metal contact. These understandings would provide a direction in developing high-performance transistors involving heteroatomic layers as contact electrodes.« less

Authors:
;  [1]
  1. Nano-Scale Device Research Laboratory, Department of Electronic Systems Engineering, Indian Institute of Science (IISc) Bangalore, Bangalore 560012 (India)
Publication Date:
OSTI Identifier:
22494857
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 119; Journal Issue: 1; Other Information: (c) 2016 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; CARRIERS; CURRENTS; DENSITY FUNCTIONAL METHOD; ELECTRODES; FIELD EFFECT TRANSISTORS; GRAPHENE; INTERFACES; LAYERS; METALS; MOLYBDENUM SULFIDES; SIMULATION; SLABS; WORK FUNCTIONS

Citation Formats

Chanana, Anuja, and Mahapatra, Santanu. Prospects of zero Schottky barrier height in a graphene-inserted MoS{sub 2}-metal interface. United States: N. p., 2016. Web. doi:10.1063/1.4938742.
Chanana, Anuja, & Mahapatra, Santanu. Prospects of zero Schottky barrier height in a graphene-inserted MoS{sub 2}-metal interface. United States. doi:10.1063/1.4938742.
Chanana, Anuja, and Mahapatra, Santanu. Thu . "Prospects of zero Schottky barrier height in a graphene-inserted MoS{sub 2}-metal interface". United States. doi:10.1063/1.4938742.
@article{osti_22494857,
title = {Prospects of zero Schottky barrier height in a graphene-inserted MoS{sub 2}-metal interface},
author = {Chanana, Anuja and Mahapatra, Santanu},
abstractNote = {A low Schottky barrier height (SBH) at source/drain contact is essential for achieving high drive current in atomic layer MoS{sub 2}-channel-based field effect transistors. Approaches such as choosing metals with appropriate work functions and chemical doping are employed previously to improve the carrier injection from the contact electrodes to the channel and to mitigate the SBH between the MoS{sub 2} and metal. Recent experiments demonstrate significant SBH reduction when graphene layer is inserted between metal slab (Ti and Ni) and MoS{sub 2}. However, the physical or chemical origin of this phenomenon is not yet clearly understood. In this work, density functional theory simulations are performed, employing pseudopotentials with very high basis sets to get insights of the charge transfer between metal and monolayer MoS{sub 2} through the inserted graphene layer. Our atomistic simulations on 16 different interfaces involving five different metals (Ti, Ag, Ru, Au, and Pt) reveal that (i) such a decrease in SBH is not consistent among various metals, rather an increase in SBH is observed in case of Au and Pt; (ii) unlike MoS{sub 2}-metal interface, the projected dispersion of MoS{sub 2} remains preserved in any MoS{sub 2}-graphene-metal system with shift in the bands on the energy axis. (iii) A proper choice of metal (e.g., Ru) may exhibit ohmic nature in a graphene-inserted MoS{sub 2}-metal contact. These understandings would provide a direction in developing high-performance transistors involving heteroatomic layers as contact electrodes.},
doi = {10.1063/1.4938742},
journal = {Journal of Applied Physics},
number = 1,
volume = 119,
place = {United States},
year = {Thu Jan 07 00:00:00 EST 2016},
month = {Thu Jan 07 00:00:00 EST 2016}
}
  • We have investigated single- and bi-layer graphene as source-drain electrodes for n-type MoS{sub 2} transistors. Ti-MoS{sub 2}-graphene heterojunction transistors using both single-layer MoS{sub 2} (1M) and 4-layer MoS{sub 2} (4M) were fabricated in order to compare graphene electrodes with commonly used Ti electrodes. MoS{sub 2}-graphene Schottky barrier provided electron injection efficiency up to 130 times higher in the subthreshold regime when compared with MoS{sub 2}-Ti, which resulted in V{sub DS} polarity dependence of device parameters such as threshold voltage (V{sub TH}) and subthreshold swing (SS). Comparing single-layer graphene (SG) with bi-layer graphene (BG) in 4M devices, SG electrodes exhibited enhancedmore » device performance with higher on/off ratio and increased field-effect mobility (μ{sub FE}) due to more sensitive Fermi level shift by gate voltage. Meanwhile, in the strongly accumulated regime, we observed opposing behavior depending on MoS{sub 2} thickness for both SG and BG contacts. Differential conductance (σ{sub d}) of 1M increases with V{sub DS} irrespective of V{sub DS} polarity, while σ{sub d} of 4M ceases monotonic growth at positive V{sub DS} values transitioning to ohmic-like contact formation. Nevertheless, the low absolute value of σ{sub d} saturation of the 4M-graphene junction demonstrates that graphene electrode could be unfavorable for high current carrying transistors.« less
  • We demonstrate a vertical field-effect transistor based on a graphene/MoSe{sub 2} van der Waals (vdW) heterostructure. The vdW interface between the graphene and MoSe{sub 2} exhibits a Schottky barrier with an ideality factor of around 1.3, suggesting a high-quality interface. Owing to the low density of states in graphene, the position of the Fermi level in the graphene can be strongly modulated by an external electric field. Therefore, the Schottky barrier height at the graphene/MoSe{sub 2} vdW interface is also modulated. We demonstrate a large current ON-OFF ratio of 10{sup 5}. These results point to the potential high performance ofmore » the graphene/MoSe{sub 2} vdW heterostructure for electronics applications.« less
  • The temperature-dependent electrical characteristics of the Au/n-Hg{sub 3}In{sub 2}Te{sub 6} Schottky contact have been studied at the temperature range of 140 K–315 K. Based on the thermionic emission theory, the ideality factor and Schottky barrier height were calculated to decrease and increase from 3.18 to 1.88 and 0.39 eV to 0.5 eV, respectively, when the temperature rose from 140 K to 315 K. This behavior was interpreted by the lateral inhomogeneities of Schottky barrier height at the interface of Au/n-Hg{sub 3}In{sub 2}Te{sub 6} contact, which was shown by the plot of zero-bias barrier heights Φ{sub bo} versus q/2kT. Meanwhile, it was found that the Schottky barriermore » height with a Gaussian distribution was 0.67 eV and the standard deviation σ{sub 0} was about 0.092 eV, indicating that the uneven distribution of barrier height at the interface region. In addition, the mean value of Φ{sup ¯}{sub b0} and modified Richardson constant was determined to be 0.723 eV and 62.8 A/cm{sup 2}K{sup 2} from the slope and intercept of the ln(I{sub o}/T{sup 2}) – (qσ{sub 0}{sup 2}/2k{sup 2}T{sup 2}) versus q/kT plot, respectively. Finally, two electron trap centers were observed at the interface of Au/n-Hg{sub 3}In{sub 2}Te{sub 6} Schottky contact by means of deep level transient spectroscopy.« less
  • Various strategies and mechanisms have been suggested for investigating a Schottky contact behavior in molybdenum disulfide (MoS{sub 2}) thin-film transistor (TFT), which are still in much debate and controversy. As one of promising breakthrough for transparent electronics with a high device performance, we have realized MoS{sub 2} TFTs with source/drain electrodes consisting of transparent bi-layers of a conducting oxide over a thin film of low work function metal. Intercalation of a low work function metal layer, such as aluminum, between MoS{sub 2} and transparent source/drain electrodes makes it possible to optimize the Schottky contact characteristics, resulting in about 24-fold andmore » 3 orders of magnitude enhancement of the field-effect mobility and on-off current ratio, respectively, as well as transmittance of 87.4 % in the visible wavelength range.« less
  • Synchrotron radiation soft x-ray photoemission spectroscopy was used to investigate the development of the electronic structure at the Au/CuInSe{sub 2} interface. Au overlayers were deposited in steps on single-crystal {ital p} and {ital n}-type CuInSe{sub 2} at ambient temperature. Reflection high-energy electron diffraction analysis before and during growth of the Au overlayers indicated that the Au overlayer was amorphous. Photoemission measurements were acquired after each growth in order to observe changes in the valence band electronic structure as well as changes in the In 4{ital d} and Se 3{ital d} core lines. The results were used to correlate the interfacemore » chemistry with the electronic structure at these interfaces and to directly determine the Au/CuInSe{sub 2} Schottky barrier height.« less