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Title: Inter-layer coupling induced valence band edge shift in mono- to few-layer MoS2

Abstract

In this study, recent progress in the synthesis of monolayer MoS2, a two-dimensional direct band-gap semiconductor, is paving new pathways toward atomically thin electronics. Despite the large amount of literature, fundamental gaps remain in understanding electronic properties at the nanoscale. Here,we report a study of highly crystalline islands of MoS2 grown via a refined chemical vapor deposition synthesis technique. Using high resolution scanning tunneling microscopy and spectroscopy (STM/STS), photoemission electron microscopy/spectroscopy (PEEM) and μ-ARPES we investigate the electronic properties of MoS2 as a function of the number of layers at the nanoscale and show in-depth how the band gap is affected by a shift of the valence band edge as a function of the layer number. Green’s function based electronic structure calculations were carried out in order to shed light on the mechanism underlying the observed bandgap reduction with increasing thickness, and the role of the interfacial Sulphur atoms is clarified. Our study, which gives new insight into the variation of electronic properties of MoS2 films with thickness bears directly on junction properties of MoS2, and thus impacts electronics application of MoS2.

Authors:
 [1];  [1];  [1];  [2];  [3];  [1];  [1];  [3];  [4];  [5];  [6];  [7];  [1];  [1];  [8];  [3];  [1]
+ Show Author Affiliations
  1. Temple Univ., Philadelphia, PA (United States)
  2. Tampere Univ. of Technology, Tampere (Finland)
  3. Northeastern Univ., Boston, MA (United States)
  4. National Tsing Hua Univ., Hsinchu (Taiwan)
  5. National Tsing Hua Univ., Hsinchu (Taiwan); Academic Sinica, Taipei (Taiwan)
  6. National Univ. of Singapore (Singapore)
  7. Helmholtz-Zentrum Berlin fur Materialien und Energie, Berlin (Germany)
  8. Temple Univ., Philadelphia, PA (United States); Northeastern Univ., Boston, MA (United States)
Publication Date:
Research Org.:
Temple Univ., Philadelphia, PA (United States); Northeastern Univ., Boston, MA (United States); Energy Frontier Research Centers (EFRC) (United States). Center for the Computational Design of Functional Layered Materials (CCDM)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1347388
Grant/Contract Number:  
SC0012575; FG02-07ER46352
Resource Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 7; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; electronic properties and materials; two-dimensional materials

Citation Formats

Trainer, Daniel J., Putilov, Aleksei V., Di Giorgio, Cinzia, Saari, Timo, Wang, Baokai, Wolak, Mattheus, Chandrasena, Ravini U., Lane, Christopher, Chang, Tay -Rong, Jeng, Horng -Tay, Lin, Hsin, Kronast, Florian, Gray, Alexander X., Xi, Xiaoxing X., Nieminen, Jouko, Bansil, Arun, and Iavarone, Maria. Inter-layer coupling induced valence band edge shift in mono- to few-layer MoS2. United States: N. p., 2017. Web. doi:10.1038/srep40559.
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Trainer, Daniel J., Putilov, Aleksei V., Di Giorgio, Cinzia, Saari, Timo, Wang, Baokai, Wolak, Mattheus, Chandrasena, Ravini U., Lane, Christopher, Chang, Tay -Rong, Jeng, Horng -Tay, Lin, Hsin, Kronast, Florian, Gray, Alexander X., Xi, Xiaoxing X., Nieminen, Jouko, Bansil, Arun, & Iavarone, Maria. Inter-layer coupling induced valence band edge shift in mono- to few-layer MoS2. United States. https://doi.org/10.1038/srep40559
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Trainer, Daniel J., Putilov, Aleksei V., Di Giorgio, Cinzia, Saari, Timo, Wang, Baokai, Wolak, Mattheus, Chandrasena, Ravini U., Lane, Christopher, Chang, Tay -Rong, Jeng, Horng -Tay, Lin, Hsin, Kronast, Florian, Gray, Alexander X., Xi, Xiaoxing X., Nieminen, Jouko, Bansil, Arun, and Iavarone, Maria. Fri . "Inter-layer coupling induced valence band edge shift in mono- to few-layer MoS2". United States. https://doi.org/10.1038/srep40559. https://www.osti.gov/servlets/purl/1347388.
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@article{osti_1347388,
title = {Inter-layer coupling induced valence band edge shift in mono- to few-layer MoS2},
author = {Trainer, Daniel J. and Putilov, Aleksei V. and Di Giorgio, Cinzia and Saari, Timo and Wang, Baokai and Wolak, Mattheus and Chandrasena, Ravini U. and Lane, Christopher and Chang, Tay -Rong and Jeng, Horng -Tay and Lin, Hsin and Kronast, Florian and Gray, Alexander X. and Xi, Xiaoxing X. and Nieminen, Jouko and Bansil, Arun and Iavarone, Maria},
abstractNote = {In this study, recent progress in the synthesis of monolayer MoS2, a two-dimensional direct band-gap semiconductor, is paving new pathways toward atomically thin electronics. Despite the large amount of literature, fundamental gaps remain in understanding electronic properties at the nanoscale. Here,we report a study of highly crystalline islands of MoS2 grown via a refined chemical vapor deposition synthesis technique. Using high resolution scanning tunneling microscopy and spectroscopy (STM/STS), photoemission electron microscopy/spectroscopy (PEEM) and μ-ARPES we investigate the electronic properties of MoS2 as a function of the number of layers at the nanoscale and show in-depth how the band gap is affected by a shift of the valence band edge as a function of the layer number. Green’s function based electronic structure calculations were carried out in order to shed light on the mechanism underlying the observed bandgap reduction with increasing thickness, and the role of the interfacial Sulphur atoms is clarified. Our study, which gives new insight into the variation of electronic properties of MoS2 films with thickness bears directly on junction properties of MoS2, and thus impacts electronics application of MoS2.},
doi = {10.1038/srep40559},
journal = {Scientific Reports},
number = ,
volume = 7,
place = {United States},
year = {Fri Jan 13 00:00:00 EST 2017},
month = {Fri Jan 13 00:00:00 EST 2017}
}
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    Structure-function correlations in sputter deposited gold/fluorocarbon multilayers for tuning optical response
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    • Deutsches Elektronen-Synchrotron, DESY, Hamburg
    • DOI: 10.3204/pubdb-2019-04689

    Structure–Function Correlations in Sputter Deposited Gold/Fluorocarbon Multilayers for Tuning Optical Response
    text, January 2019

    • Pandit, Pallavi; Schwartzkopf, Matthias; Rothkirch, Andre
    • Deutsches Elektronen-Synchrotron, DESY, Hamburg
    • DOI: 10.3204/pubdb-2019-04504

    Evolution of Metastable Defects and Its Effect on the Electronic Properties of MoS2 Films
    journal, April 2018

    Structure-function correlations in sputter deposited gold/fluorocarbon multilayers for tuning optical response
    text, January 2019

    • Pandit, Pallavi; Schwartzkopf, Matthias; Rothkirch, Andre
    • Deutsches Elektronen-Synchrotron, DESY, Hamburg
    • DOI: 10.3204/pubdb-2019-04689
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