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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 67: Focus Session: Frontiers of Electronic-Structure Theory: Correlated Electron Materials VI (joint session O/MM/DS/TT/CPP)
CPP 67.6: Vortrag
Donnerstag, 15. März 2018, 11:45–12:00, HL 001
Non-local correlations in effectively reduced spatial dimensions — •Jan M. Tomczak1, Matthias Pickem1, Benjamin Klebel1, Anna Galler2, Josef Kaufmann1, Patrik Gunacker1, Patrik Thunström3, Thomas Schäfer2, Alessandro Toschi1, and Karsten Held1 — 1Institute of Solid State Physics, TU Wien, Austria — 2Centre de Physique Théorique, Ecole Polytechnique, Palaiseau, France — 3Department of Physics and Astronomy, Uppsala University, Uppsala, Sweden
Using the dynamical vertex approximation and its recent extension for electronic structure calculations, AbinitioDΓA[1], we explore the impact of spatial dimensions onto non-local correlations: (a) we compare magnitude and manifestations of non-local self-energies in ultra-thin films of transition-metal oxides to those in the bulk material. (b) we track the evolution of non-local correlations in the doped Hubbard model when continuously going from 3D to 2D. In particular we probe the limits of the “space-time separation” of electronic correlations evidenced in 3D[2]. Support by the ERC project AbinitioDGA (306447) and the Austrian Science Fund (FWF) projects I 2794-N35 and P 30213-N36 is acknowledged.
References: [1] A. Galler, P. Thunström, P. Gunacker, JMT, K. Held, PRB 95, 115107 (2017), [2] T. Schäfer, A. Toschi, JMT, PRB 91, 121107R (2015)