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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 30: 2D Materials II: Electronic Structure, Excitations, etc. (joint session O/CPP/HL)

CPP 30.9: Vortrag

Montag, 16. März 2020, 17:15–17:30, WIL C107

Tailoring the opto-electronic response of graphene nanoflakes by size and shape optimization — •Raquel Esteban-Puyuelo¹, Rajat Sonkar², Bhalchandra Pujari², Oscar Grånäs¹, and Biplab Sanyal¹ — ¹Division of Materials Theory, Department of Physics and Astronomy, Uppsala University, Box-516, SE 75120, Sweden — ²Centre for Modeling and Simulation, Savitribai Phule Pune University, Ganeshkhind, Pune 411007, India

The long spin-diffusion length, spin-lifetime and excellent optical absorption coefficient of graphene provide a promising platform for building opto-electronic devices as well as spin-based logic in the nanometer regime. We have used time-dependent density functional theory to study how the magnetic structure and optical properties of graphene nanoflakes depend on their size and shape. We optimize the magnetic ground state and the exchange coupling between the edges of the flakes to tailor the external fields needed to switch the magnetic ordering. Finally it's shown that the magnetic state alters the optical response of the flake leading to the possibility of opto-spintronic applications.