Regensburg 2022 – scientific programme

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DS: Fachverband Dünne Schichten

DS 20: Poster

DS 20.9: Poster

Wednesday, September 7, 2022, 16:00–18:00, P3

Twisted bilayer antimonene — •Stefan Wolff, Roland Gillen, and Janina Maultzsch — Department of Physics, Chair of Experimental Physics, Friedrich-Alexander-Universität Erlangen-Nürnberg, Staudtstr. 7, 91058 Erlangen, Germany

Antimony has proven to be a promising candidate for two-dimensional (2D) mono-elemental materials. In bulk form, it is a layered crystal comprising sheets of antimony atoms arranged in a hexagonal buckled honeycomb lattice called antimonene. The natural stacking order follows an ABC-pattern, in which each subsequent layer is shifted by one third. Other than many other 2D materials, the interlayer bonds in few-layer antimonene show partially covalent character. Due to this covalent character, changes of the local stacking order via rotation and translation may lead to new interesting features and properties of the material. Density functional theory (DFT) is used to simulate twisted bilayer antimonene structures with different rotation angels and to investigate their physical properties. Moiré patterns and local stacking orders can be found, which lead to a non-uniform bond length distribution. Additionally, our investigation of the charge density shows how the overlap of atomic orbitals in certain areas changes, depending on the proximity of atoms from neighboring layers. A comprehensive understanding of how the properties of twisted bilayer antimonene are modified compared to naturally stacked bilayer antimonene may lead to future applications making use of well-constructed, favorable stacking orders in layered materials.