TT 7: Correlated Electrons: Electronic Structure Calculations
Monday, March 17, 2025, 15:00–18:00, H31
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15:00 |
TT 7.1 |
Wannier interpolation of reciprocal-space periodic and non-periodic matrix elements in the optimally smooth subspace — •Giulio Volpato, Stefano Mocatti, Giovanni Marini, and Matteo Calandra
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15:15 |
TT 7.2 |
LCAO fragment orbital projectors for DFT+U — •Christoph Freysoldt, Hao Chen, and Jörg Neugebauer
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15:30 |
TT 7.3 |
Single- and two-particle observables in the Emery model: A dynamical mean-field perspective — •Yi-Ting Tseng, Mario Malcolms, Henri Menke, Marcel Klett, Thomas Schäfer, and Philipp Hansmann
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15:45 |
TT 7.4 |
Origin of transitions inversion in rare-earth vanadates — •Xuejing Zhang, Erik Koch, and Eva Pavarini
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16:00 |
TT 7.5 |
Engineering correlated Dirac fermions and flat bands on SiC with transition metal adatom lattices — •Niklas Enderlein, Henri Menke, Yi-Ting Tseng, Michel Bockstedte, Janina Maultzsch, Giorgio Sangiovanni, and Philipp Hansmann
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16:15 |
TT 7.6 |
Antiferromagnetism in iridates revisited: Mott versus Slater physics — Francesco Cassol, Michele Casula, and •Benjamin Lenz
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16:30 |
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15 min. break
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16:45 |
TT 7.7 |
Optical conductivity of Sr2IrO4 and Ba2IrO4: beyond the traditional interpretation of the double peak structure — •Francesco Cassol, Michele Casula, and Benjamin Lenz
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17:00 |
TT 7.8 |
Non-flat bands and chiral symmetry in magic angle twisted bilayer graphene — •Miguel Sánchez, José González, and Tobias Stauber
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17:15 |
TT 7.9 |
Electronic structure of CrB2 and implications for the incommensurate antiferromagnetic order — •André Deyerling, Alexander Regnat, Schorsch Sauther, Christian Pfleiderer, and Marc A. Wilde
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17:30 |
TT 7.10 |
Calculating core-hole valence electron interactions from ab initio — •Felix Sorgenfrei, Olle Eriksson, and Patrik Thunström
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17:45 |
TT 7.11 |
SOLAX: A Python solver for fermionic quantum systems with neural network support — Louis Thirion, Philipp Hansmann, and •Pavlo Bilous
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