Berlin 2012 –
scientific programme
O 39: Focussed session: Frontiers of electronic structure theory: Strong correlations from first principles III (jointly with TT)
Wednesday, March 28, 2012, 10:30–13:15, HE 101
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10:30 |
O 39.1 |
Reduced effective spin-orbital degeneracy and spin-orbital ordering in paramagnetic transition metal oxides:
Sr2IrO4 vs. Sr2RhO4 — •Cyril Martins, Markus Aichhorn, Loïg Vaugier, and Silke Biermann
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10:45 |
O 39.2 |
Ab initio determination of excitation energies and magnetic couplings in correlated, quasi two-dimensional iridates — •Vamshi Katukuri, Hermann Stoll, Jeroen van den Brink, and Liviu Hozoi
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11:00 |
O 39.3 |
First-principles study of electronic structure and magnetism of CaIrO3 — •Alaska Subedi
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11:15 |
O 39.4 |
Interplay of Coulomb interactions and spin-orbit coupling in the bilayer Ruthenate Sr3Ru2O7 — •Malte Behrmann, Christoph Piefke, and Frank Lechermann
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11:30 |
O 39.5 |
Strong correlations enhanced by charge-ordering in highly doped cobaltates — •Oleg Peil, Antoine Georges, and Frank Lechermann
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11:45 |
O 39.6 |
Magnetic charge-ordered bad-metal ground state of nickelate superlattices — Danilo Puggioni, Alessio Filippetti, and •Vincenzo Fiorentini
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12:00 |
O 39.7 |
Computing the magneto-electric coupling between atoms with numerous open-shells to experimental accuracy : YMnO3 — •Marie-Bernadette Lepetit
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12:15 |
O 39.8 |
Electron conductivity of Li2O2 in Li-air batteries — •Juan María García Lastra and Kristian Thygesen
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12:30 |
O 39.9 |
Signatures of Electronic Correlations in the Narrow Gap Semiconductor FeSi — •Jan M. Tomczak, Kristjan Haule, and Gabriel Kotliar
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12:45 |
O 39.10 |
Point defect calculations in CuInSe2 and CuGaSe2 using a screened-exchange hybrid functional — •Johan Pohl, Andreas Klein, and Karsten Albe
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13:00 |
O 39.11 |
Entanglement of electron-ion motion and decoherence in trans-polyacetylene oligomers — •Heiko Appel
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