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Berlin 2024 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 7: Correlated Electrons: Electronic Structure Calculations

Montag, 18. März 2024, 09:30–12:30, H 3025

09:30 TT 7.1 Influence of the ionic coordination on the electronic structure of NiO and CoO calculated with a DFT+DMFT first principles many-body approach — •Daniel Mutter, Daniel F. Urban, Frank Lechermann, and Christian Elsässer
09:45 TT 7.2 Bridging DFT+U and DFT+DMFT: Hartree-Fock approximation and Wannier Projectors — •Alberto Carta, Iurii Timrov, Peter Mlkvik, Alexander Hampel, and Claude Ederer
10:00 TT 7.3 Parametrization of the Coulomb interaction matrix with point-group symmetry — •Coraline Letouzé, Guillaume Radtke, Benjamin Lenz, and Christian Brouder
10:15 TT 7.4 Single-site DFT+DMFT for vanadium dioxide using bond-centered orbitals — •Peter Mlkvik, Nicola A. Spaldin, and Claude Ederer
10:30 TT 7.5 Origin of transitions inversion in rare-earth vanadates — •Xuejing Zhang, Erik Koch, and Eva Pavarini
10:45 TT 7.6 Neural-network-boosted exact diagonalization: A new approach and a new community code — •Pavlo Bilous, Louis Thirion, and Philipp Hansmann
  11:00 15 min. break
11:15 TT 7.7 Dynamical mean-field theory study of the spin-orbit insulator Ba2IrO4: Effective low-energy models from first principles — •Léo Gaspard, Francesco Cassol, Michele Casula, Benjamin Lenz, and Cyril Martins
11:30 TT 7.8 Dynamical mean-field theory study of the spin-orbit insulator Ba2IrO4: the role of spin-orbit coupling in the Mott transition — •Francesco Cassol, Léo Gaspard, Michele Casula, Cyril Martins, and Benjamin Lenz
11:45 TT 7.9 Formation of spin-orbital entangled 2D electron gas in layer delta-doped bilayer iridate LaδSr3Ir2O7 — •Amit Chauhan, Arijit Mandal, and B. R. K. Nanda
12:00 TT 7.10 On the cuprates’ universal waterfall feature: evidence of a momentum-driven cross-overBenjamin Bacq-Labreuil, Chafic Fawaz, Matteo d’Astuto, Silke Biermann, and •Benjamin Lenz
12:15 TT 7.11 Electron glass phase with resilient Zhang-Rice singlets in LiCu3O3 — •Armando Consiglio, Gianmarco Gatti, Edoardo Martino, Tobias Hofmann, Ronny Thomale, Giorgio Sangiovanni, Domenico Di Sante, Martin Greiter, Marco Grioni, and Simon Moser
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