Regensburg 2019 – wissenschaftliches Programm
TT 6.8: Vortrag
Montag, 1. April 2019, 11:30–11:45, H53
Ab initio simulations of 2D-materials interacting with magnetic clusters and surfaces — •Nicolae Atodiresei, Vasile Caciuc, and Stefan Blügel — Peter Grünberg Institut (PGI-1) and Institute for Advanced Simulation (IAS-1), Forschungszentrum Jülich, Germany
Using density functional theory calculations we elucidate how the subtle interplay between the electrostatic, the weak van der Waals and the strong chemical interactions determines the geometric, electronic and magnetic structure of hybrid systems formed by magnetic substrates and atomic clusters with 2D materials as transition metal dichalcogenites (TMDs) monolayers and graphene (Gr). More precisely, the interaction between 2D and magnetic materials (i.e. surfaces, atomic clusters) shapes the (i) spin-polarization, (ii) magnetic exchange couplings, (iii) magnetic moments and (iv) their orientation of the hybrid systems. This work has been supported by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) - Project number 277146847 - CRC 1238 (C01).
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