Single-layer MoS2 on Au(111): Band gap renormalization and substrate interaction

Albert Bruix; Jill Miwa; Nadine Hauptmann; Daniel Wegner; Søren Ulstrup; Signe Strange Grønborg; Charlotte Sanders; Maciej Dendzik; Antonija Grubisic Cabo; Marco Bianchi; Jeppe V. Lauritsen; Alexander A. Khajetoorians; Bjørk Hammer; Philip Hofmann

doi:10.1103/PhysRevB.93.165422

Single-layer MoS2 on Au(111): Band gap renormalization and substrate interaction

Albert Bruix, Jill Miwa, Nadine Hauptmann, Daniel Wegner, Søren Ulstrup, Signe Strange Grønborg, Charlotte Sanders, Maciej Dendzik, Antonija Grubisic Cabo, Marco Bianchi, Jeppe V. Lauritsen, Alexander A. Khajetoorians, Bjørk Hammer, Philip Hofmann

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Abstract

The electronic structure of epitaxial single-layer MoS2 on Au(111) is investigated by angle-resolved photoemission spectroscopy, scanning tunneling spectroscopy, and first-principles calculations. While the band dispersion of the supported single layer is close to a free-standing layer in the vicinity of the valence-band maximum at K and the calculated electronic band gap on Au(111) is similar to that calculated for the free-standing layer, significant modifications to the band structure are observed at other points of the two-dimensional Brillouin zone: at Γ, the valence-band maximum has a significantly higher binding energy than in the free MoS2 layer and the expected spin-degeneracy of the uppermost valence band at the M point cannot be observed. These band structure changes are reproduced by the calculations and can be explained by the detailed interaction of the out-of-plane MoS2 orbitals with the substrate.

Original language	English
Article number	165422
Journal	Physical Review B
Volume	93
Issue	16
Number of pages	10
ISSN	2469-9950
DOIs	https://doi.org/10.1103/PhysRevB.93.165422
Publication status	Published - 18 Apr 2016

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10.1103/PhysRevB.93.165422

https://arxiv.org/pdf/1601.00095.pdf

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Bruix, A., Miwa, J., Hauptmann, N., Wegner, D., Ulstrup, S., Grønborg, S. S., Sanders, C., Dendzik, M., Grubisic Cabo, A., Bianchi, M., Lauritsen, J. V., Khajetoorians, A. A., Hammer, B., & Hofmann, P. (2016). Single-layer MoS2 on Au(111): Band gap renormalization and substrate interaction. Physical Review B, 93(16), Article 165422. https://doi.org/10.1103/PhysRevB.93.165422

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title = "Single-layer MoS2 on Au(111): Band gap renormalization and substrate interaction",

abstract = "The electronic structure of epitaxial single-layer MoS2 on Au(111) is investigated by angle-resolved photoemission spectroscopy, scanning tunneling spectroscopy, and first-principles calculations. While the band dispersion of the supported single layer is close to a free-standing layer in the vicinity of the valence-band maximum at K and the calculated electronic band gap on Au(111) is similar to that calculated for the free-standing layer, significant modifications to the band structure are observed at other points of the two-dimensional Brillouin zone: at Γ, the valence-band maximum has a significantly higher binding energy than in the free MoS2 layer and the expected spin-degeneracy of the uppermost valence band at the M point cannot be observed. These band structure changes are reproduced by the calculations and can be explained by the detailed interaction of the out-of-plane MoS2 orbitals with the substrate.",

author = "Albert Bruix and Jill Miwa and Nadine Hauptmann and Daniel Wegner and S{\o}ren Ulstrup and Gr{\o}nborg, {Signe Strange} and Charlotte Sanders and Maciej Dendzik and {Grubisic Cabo}, Antonija and Marco Bianchi and Lauritsen, {Jeppe V.} and Khajetoorians, {Alexander A.} and Bj{\o}rk Hammer and Philip Hofmann",

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month = apr,

day = "18",

doi = "10.1103/PhysRevB.93.165422",

language = "English",

volume = "93",

journal = "Physical Review B",

issn = "2469-9950",

publisher = "American Physical Society",

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T1 - Single-layer MoS2 on Au(111): Band gap renormalization and substrate interaction

AU - Bruix, Albert

AU - Miwa, Jill

AU - Hauptmann, Nadine

AU - Wegner, Daniel

AU - Ulstrup, Søren

AU - Grønborg, Signe Strange

AU - Sanders, Charlotte

AU - Dendzik, Maciej

AU - Grubisic Cabo, Antonija

AU - Bianchi, Marco

AU - Lauritsen, Jeppe V.

AU - Khajetoorians, Alexander A.

AU - Hammer, Bjørk

AU - Hofmann, Philip

PY - 2016/4/18

Y1 - 2016/4/18

N2 - The electronic structure of epitaxial single-layer MoS2 on Au(111) is investigated by angle-resolved photoemission spectroscopy, scanning tunneling spectroscopy, and first-principles calculations. While the band dispersion of the supported single layer is close to a free-standing layer in the vicinity of the valence-band maximum at K and the calculated electronic band gap on Au(111) is similar to that calculated for the free-standing layer, significant modifications to the band structure are observed at other points of the two-dimensional Brillouin zone: at Γ, the valence-band maximum has a significantly higher binding energy than in the free MoS2 layer and the expected spin-degeneracy of the uppermost valence band at the M point cannot be observed. These band structure changes are reproduced by the calculations and can be explained by the detailed interaction of the out-of-plane MoS2 orbitals with the substrate.

AB - The electronic structure of epitaxial single-layer MoS2 on Au(111) is investigated by angle-resolved photoemission spectroscopy, scanning tunneling spectroscopy, and first-principles calculations. While the band dispersion of the supported single layer is close to a free-standing layer in the vicinity of the valence-band maximum at K and the calculated electronic band gap on Au(111) is similar to that calculated for the free-standing layer, significant modifications to the band structure are observed at other points of the two-dimensional Brillouin zone: at Γ, the valence-band maximum has a significantly higher binding energy than in the free MoS2 layer and the expected spin-degeneracy of the uppermost valence band at the M point cannot be observed. These band structure changes are reproduced by the calculations and can be explained by the detailed interaction of the out-of-plane MoS2 orbitals with the substrate.

U2 - 10.1103/PhysRevB.93.165422

DO - 10.1103/PhysRevB.93.165422

M3 - Journal article

SN - 2469-9950

VL - 93

JO - Physical Review B

JF - Physical Review B

IS - 16

M1 - 165422

ER -

Single-layer MoS2 on Au(111): Band gap renormalization and substrate interaction

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