Description |
Materials with correlated electrons display an amazing variety of phenomena, ranging from Mott-Hubbard insulators to high-temperature superconductivity. So far most research in strongly correlated materials has focused on the role of the "Hubbard U" term, i.e, the repulsion between electrons on the same atom, driving the Mott localization in partially filled bands. In the last few years two new paradigms have emerged: the “Hund's metal”, a highly correlated state driven by Hund's exchange coupling favoring the formation of high-spin multiplets on an atom and the "spin-orbit Mott insulator or correlated metal" where spin-orbit coupling conspires with local interactions to produce novel correlation effects. The conference will gather the main researchers active in the field. Focussing on the effects of Hund’s and spin-orbit couplings in correlated materials such as iron-based superconductors, ruthenates or iridates, and from the comparison between theoretical/computational and experimental results, it will aim at improving the conceptual understanding of the new phenomena. A specific objective of the conference will also be the further development of electronic structure methods able to capture the new paradigms and to provide a reliable description of the properties of 3d, 4d, and 5d transition metal compounds from first principles. |
Conference: What about U? - Effects of Hubbard Interactions and Hund’s Coupling in Solids | (smr 2827)
Go to day
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08:30 - 19:30
DAY 1
45' talks are to be understood as 30' talk + 15' questions 30' talks are to be understood as 20' talk + 10' questions
- 08:30 Registration and Administrative formalities 30' ( LB - Main Entrance Hall )
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09:00
From LDA+U to realistic correlated calculations
45'
Speaker: A. Lichtenstein Material: Abstract Slides -
09:45
A new QSGW+DMFT approach applied to Ni
45'
Speaker: M. van Schilfgaarde Material: Abstract Slides - 10:30 Coffee break 30'
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11:00
Spin-orbital frustration in Mott insulators
45'
Speaker: G. Jackeli Material: Abstract -
11:45
Metal-insulator transition in Sr2IrO4 by ARPES
45'
Speaker: V. Brouet Material: Abstract - 12:30 Lunch break 2h0'
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14:30
Universal metal-insulator transition with Dirac electrons
45'
Speaker: S. Sorella Material: Abstract -
15:15
Contributed talk: What about U in surface adatom systems? - Interplay of charge and spin degrees of freedom
30'
Speaker: Y. Nomura Material: Abstract Slides -
15:45
Contributed talk: Coulomb interaction in transition metal dichalcogenides
30'
Speaker: M. Rösner Material: Abstract Slides - 16:15 Coffee break 15'
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16:30
Poster Flash Presentations
1h0'
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17:30
Poster Session
2h0'
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08:30 - 19:30
DAY 1
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09:00 - 18:30
Day 2
45' talks are to be understood as 30' talk + 15' questions 30' talks are to be understood as 20' talk + 10' questions
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09:00
Contributed talk: Magnetic interactions in Iridium oxides from LDA+U
30'
Speaker: A. Yaresko Material: Abstract Slides -
09:30
Heavy Weyl fermion state in CeRu4Sn6
45'
Speaker: Xi Dai Material: Abstract -
10:15
Contributed talk: Strong correlations in topological insulators
30'
Speaker: A. Amaricci Material: Abstract - 10:45 Coffee break 30'
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11:15
Spin textures in Hubbard systems
45'
Speaker: J. Kunes Material: Abstract Slides -
12:00
Contributed talk: Metal-insulator trans. and topolog. prop. of pyrochlore iridates
30'
Speaker: H. Zhang Material: Abstract - 12:30 Lunch break 2h0'
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14:30
Molecular orbitals vs. relativisitic orbitals
45'
Speaker: I. Mazin Material: Abstract Slides -
15:15
Hund's coupling and spin-orbit interactions in three- orbital systems
45'
Speaker: J. Mravlje Material: Abstract - 16:00 Coffee break 30'
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16:30
Round table on Iridates
2h0'
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09:00
Contributed talk: Magnetic interactions in Iridium oxides from LDA+U
30'
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09:00 - 18:30
Day 2
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09:00 - 21:30
Day 3
45' talks are to be understood as 30' talk + 15' questions 30' talks are to be understood as 20' talk + 10' questions
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09:00
Nematicity and superconductivity in FeSe: why are they different than in other iron-based materials?
45'
Speaker: R. Fernandes Material: Abstract -
09:45
Complex Fermiology in Fe-based superconductors
45'
Speaker: K. Maiti Material: Abstract - 10:30 Coffee break 30'
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11:00
Electronic structure from ARPES
45'
Speaker: S. Borisenko Material: Abstract -
11:45
Thermodynamic evidence of strong correlations
45'
Speaker: F. Hardy Material: Abstract - 12:30 Lunch break 2h0'
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14:30
What can ARPES tell U about electronic correlations in the Fe-based superconductors?
45'
Speaker: P. Richard Material: Slides -
15:15
Lifshitz transitions and Hund's metal behavior investigated by ARPES
45'
Speaker: J. Fink - 16:00 Coffee break 30'
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16:30
Round table on Pnictides
2h0'
- 19:30 Conference Dinner 2h0' ( Leonardo Building - Terrace )
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09:00
Nematicity and superconductivity in FeSe: why are they different than in other iron-based materials?
45'
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09:00 - 21:30
Day 3
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09:00 - 18:30
Day 4
45' talks are to be understood as 30' talk + 15' questions 30' talks are to be understood as 20' talk + 10' questions
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09:00
The makings of a Hund's metal
45'
Speaker: A. Khajetoorians Material: Abstract -
09:45
Hund's induced Fermi liquid instabilities
45'
Speaker: L. de' Medici Material: Abstract - 10:30 Coffee break 30'
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11:00
Contributed talk: Anomalous scaling and breakdown of DFT for Mott phenomena
30'
Speaker: V. Brosco Material: Abstract Slides -
11:30
Koopmans-compliant functionals for spectroscopy
45'
Speaker: N. Colonna Material: Abstract Slides - 12:15 Lunch break 2h0'
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14:15
Orbital-DFT for spectroscopies
45'
Speaker: A. Ferretti Material: Abstract -
15:00
Comparison of Self-Consistent DFT+U Approaches via Direct Minimisation
30'
Speaker: G. Moynihan Material: Abstract - 15:30 Coffee break 30'
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16:00
Round table on Methods
2h0'
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09:00
The makings of a Hund's metal
45'
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09:00 - 18:30
Day 4
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09:00 - 12:30
Day 5
45' talks are to be understood as 30' talk + 15' questions 30' talks are to be understood as 20' talk + 10' questions
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09:00
Contributed talk: DFT+DMFT for structural properties of actinides
30'
Speaker: B. Amadon Material: Abstract Slides -
09:30
Contributed talk: Orbital Selectivity and Hund's Physics in Iron-Based Superconductors
30'
Speaker: L. Fanfarillo Material: Abstract Slides -
10:00
Effect of negative Hund's coupling in alkali-doped fullerides
45'
Speaker: R. Arita Material: Abstract - 10:45 Coffee break 30'
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11:15
Concluding Remarks
30'
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09:00
Contributed talk: DFT+DMFT for structural properties of actinides
30'
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09:00 - 12:30
Day 5