Regensburg 2019 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 64: Poster Session: Transport

TT 64.17: Poster

Donnerstag, 4. April 2019, 15:00–18:30, Poster D

Structural and electronic properties of graphene/MoS₂ bilayer heterostructures — •Somepalli Venkateswarlu, Andreas Honecker, and Guy Trambly de Laissardière — Laboratoire de Physique Théorique et Modélisation, CNRS UMR 8089, Université de Cergy-Pontoise, France

Graphene and two-dimensional materials based on transition metal dichalcogenides have gained increasing attention because of their fascinating features in electronics and optical properties [1]. Combining a single layer of graphene with a transition metal dichalcogenide layer in a Van der Waals heterostructure offers an intriguing means of controlling the electronic properties through these bilayer heterostructures [2]. Here, we report the structural and electronic properties of graphene/MoS₂ bilayer heterostructures. For the theoretical calculations, we use Density Functional Theory with Van der Waals corrections, as implemented in the Abinit package [3]. We analyze the interlayer spacing between the graphene and MoS₂ layers and also the location of Dirac points near the Fermi level. In particular, we focus on the structural and electrical properties of bilayer heterostructures with different supercell geometries and give particular attention to the effect of relaxing the lattice structure. These heterostructures are based on different supercell geometries (4:3, 5:4, and 9:7), having different magnitudes of the lattice mismatch.

[1] E. S. Kadantsev, P. Hawrylak, Solid State Comm. 152, 909 (2012)

[2] S. Singh, C. Espejo, A. H. Romero, Phys. Rev. B 98, 155309 (2018)

[3] X. Gonze et al., Comp. Mat. Sci. 25, 478 (2002); https://www.abinit.org