Regensburg 2019 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 6: Surface magnetism and magnetic coupling phenomena (joint session MA/O/TT)

TT 6.8: Talk

Monday, April 1, 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).

[1] R. Brede et al., Nature Nanotech. 9, 1018 (2014).

[2] F. Huttmann et al., Phys. Rev. Lett. 115, 236101 (2015).

[3] F. Huttmann et al., Phys. Rev. B 95, 075427 (2017).

[4] V. Caciuc et al., Phys. Rev. Mat. 2, 084001 (2018).