SurfaceScience21 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
O: Fachverband Oberflächenphysik
O 66: Poster Session V: 2D Materials: Electronic structure, excitations, etc. I
O 66.12: Poster
Mittwoch, 3. März 2021, 10:30–12:30, P
Elelctronic structure and bonding of h-BN on Pt(110) — •Marco Thaler1, Dominik Steiner1, Alexander Menzel1, Florian Mittendorfer2, and Erminald Bertel1 — 1Institute of Physical Chemistry, University of Innsbruck, Innsbruck, Austria — 2Institute of Applied Physics and Center for Computational Materials Science, University of Technology, Vienna, Austria
The electronic properties and substrate interaction of single domain hexagonal boron nitride (h-BN) grown on structurally incommensurable Pt(110) were investigated by density functional theory (DFT), angle-resolved photoemission spectroscopy (ARPES), and work function measurements. DFT calculations show that the h-BN-substrate interaction is dominated by nonlocal van der Waals forces. However, locally, a covalent bond forms between on-top N and Pt atoms, forcing the Pt(110)-surface to adapt to the adlayer in the form of a (1xn)-m.r. reconstruction. In addition, the covalent bond gives rise to a peak in the local density-of-states at the Fermi level within the h-BN band gap and generally to hybridization of h-BN and substrate bands in the calculated band structure. In contrast, the experimental band dispersion coincides well with band structure calculations for a free-standing h-BN monolayer. We attribute the difference to correlation effects, i.e. the confinement of the photo-hole within the h-BN monolayer. Considerable correlation is also indicated by the appearance of a flat band in the σ manifold. The Moiré structure causes the appearance of umklapp bands in the ARPES data, differing in nature from Moiré-induced replica bands observed in e.g. Ru(0001) or Rh(111).