Dresden 2017 – wissenschaftliches Programm
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DS: Fachverband Dünne Schichten
DS 30: Two-dimensional materials IV (jointly with HL/TT)
DS 30.12: Vortrag
Mittwoch, 22. März 2017, 12:45–13:00, POT 51
Multi-scale approach for strain-engineering of phosphorene — Daniel Midtvedt1 and •Alexander Croy2 — 1Department of Physics, Chalmers University of Technology, Gothenburg, Sweden — 2Institute for Materials Science and Max Bergmann Center of Biomaterials, TU Dresden, Germany
A multi-scale approach for the theoretical description of deformed phosphorene is presented. This approach combines a recently developed valence-force model [1] to relate macroscopic strain to microscopic displacements of atoms and a tight-binding model [2] with distance-dependent hopping parameters to obtain electronic properties. The resulting self-consistent electromechanical model is suitable for large-scale modeling of phosphorene devices. We demonstrate this for the case of an inhomogeneously deformed phosphorene drum, which may be used as an exciton funnel [3].
[1] D. Midtvedt and A. Croy, Phys. Chem. Chem. Phys. 18, 23312 (2016). [2] A. N. Rudenko, S. Yuan, and M. I. Katsnelson, Phys. Rev. B 92, 085419 (2015). [3] P. San-Jose et al, Phys. Rev. X 6, 031046 (2016).