TY - JOUR
T1 - Single-layer MoS2 on Au(111)
T2 - Band gap renormalization and substrate interaction
AU - Bruix, Albert
AU - Miwa, Jill A.
AU - Hauptmann, Nadine
AU - Wegner, Daniel
AU - Ulstrup, Søren
AU - Grønborg, Signe S.
AU - Sanders, Charlotte E.
AU - Dendzik, Maciej
AU - Grubišić Čabo, 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.
UR - http://www.scopus.com/inward/record.url?scp=84964335420&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.93.165422
DO - 10.1103/PhysRevB.93.165422
M3 - Article
AN - SCOPUS:84964335420
VL - 93
JO - Physical Review B
JF - Physical Review B
SN - 2469-9950
IS - 16
M1 - 165422
ER -