Berlin 2018 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 91: 2D materials beyond graphene: TMDCs, silicene and relatives III

O 91.8: Vortrag

Donnerstag, 15. März 2018, 12:15–12:30, MA 043

Pseudodoping of single-layer TaS₂ on Au(111) — Bin Shao¹, •Andreas Eich², Charlotte Sanders³, Arlette Sohanfo Ngankeu³, Marco Bianchi³, Philip Hofmann³, Alexander Ako Khajetoorians², and Tim Oliver Wehling¹ — ¹Institut fuer Theoretische Physik (ITP), and Bremen Center for Computational Materials Science (BCCMS), Universitaet Bremen, Germany — ²Institute for Molecules and Materials, Radboud University, Nijmegen, The Netherlands — ³Department of Physics and Astronomy, Interdisciplinary Science Center (iNANO), Aarhus University, Denmark

We demonstrate how weak hybridization of a monolayer of TaS₂ grown on Au(111) can lead to an apparent heavy doping. Combining ab-initio calculations and a generic model, we show that strong reshaping of Fermi surfaces and changes in Fermi volumes can arise without actual charge transfer. This mechanism, which we refer to as pseudodoping, explains particular features in the DOS found in the experimental data which are not present in the calculated freestanding case. Moreover, we discuss experimentally observed defects in the TaS₂ monolayer, and illustrate how the changes in hybridization change the experimentally observed features on the LDOS. Finally, we illustrate theoretically that this is a generic effect for metallic 2D materials which are either weakly absorbed to metallic substrates or embedded in vertical heterostructures.