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

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

doi:10.1038/srep40559

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

Journal Article · Fri Jan 13 00:00:00 EST 2017 · Scientific Reports

DOI:https://doi.org/10.1038/srep40559· OSTI ID:1347388

Trainer, Daniel J. ^[1]; Putilov, Aleksei V. ^[1]; Di Giorgio, Cinzia ^[1]; Saari, Timo ^[2]; Wang, Baokai ^[3]; Wolak, Mattheus ^[1]; Chandrasena, Ravini U. ^[1]; Lane, Christopher ^[3]; Chang, Tay -Rong ^[4]; Jeng, Horng -Tay ^[5]; Lin, Hsin ^[6]; Kronast, Florian ^[7]; Gray, Alexander X. ^[1]; Xi, Xiaoxing X. ^[1]; Nieminen, Jouko ^[8]; Bansil, Arun ^[3]; Iavarone, Maria ^[1]

Temple Univ., Philadelphia, PA (United States)
Tampere Univ. of Technology, Tampere (Finland)
Northeastern Univ., Boston, MA (United States)
National Tsing Hua Univ., Hsinchu (Taiwan)
National Tsing Hua Univ., Hsinchu (Taiwan); Academic Sinica, Taipei (Taiwan)
National Univ. of Singapore (Singapore)
Helmholtz-Zentrum Berlin fur Materialien und Energie, Berlin (Germany)
Temple Univ., Philadelphia, PA (United States); Northeastern Univ., Boston, MA (United States)

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.

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Research Organization:: 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 Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0012575; FG02-07ER46352

OSTI ID:: 1347388

Journal Information:: Scientific Reports, Vol. 7; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 32 works

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