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Abstract
Stronglycorrelated materials show a variety of fascinating
properties, such as metalinsulator transitions, unconventional
superconductivity, or strongly enhanced magnetism. A common feature of these fascinating materials is that potential and kinetic energy are of similar strength and compete with each other, yielding fragile and easytoperturbe ground states.
The theoretical description of these correlated compounds is challenging, since both the itinerant motion of electrons and local atomiclike physics has to be taken into account on the same footing. This goal can be reached by combining density functional theory with the dynamical meanfield theory [1], which allows for a continuous interpolation between itinerant metals on the one hand, and stronglylocalized insulators on the other hand.
In this talk I will review recent advances in this field, using selected topical examples. We will see how new developments of numerical methods made it possible to address questions that we could not answer a few years ago [2,3]. I will for instance discuss correlation effects in ironbased superconductors, and highlight the effect of Hund's rule coupling in these materials. We will furthermore identify this coupling to be the reason for quite a number of unexpected properties in 3d in 4d materials [46].
Although these examples will show that we have seen tremendous progress in the ab initio description of correlated matter in recent years, we are still not at the end of the road to true predictive power. I will discuss the open issues in the context of one of our current research focuses, which are spinorbit coupled correlated systems, such as iridium oxide crystals [7] and heterostructures.
[1] G. Kotliar et al., Rev. Mod. Phys. 78, 865, (2006).
[2] M. Aichhorn et al., Phys. Rev. B 80, 085101 (2009).
[3] M. Aichhorn et al., Comp. Phys. Comm. 204, 200 (2016).
[4] M. Aichhorn et al., Phys. Rev. B 82, 064504 (2010)
[5] J. Mravlje et al., Phys. Rev. Lett. 108, 197202 (2012).
[6] M. Zingl et al., Phys. Rev. B 94, 045130 (2016).
[7] C. Martins et al., Phys. Rev. Lett. 107, 266404 (2012).
properties, such as metalinsulator transitions, unconventional
superconductivity, or strongly enhanced magnetism. A common feature of these fascinating materials is that potential and kinetic energy are of similar strength and compete with each other, yielding fragile and easytoperturbe ground states.
The theoretical description of these correlated compounds is challenging, since both the itinerant motion of electrons and local atomiclike physics has to be taken into account on the same footing. This goal can be reached by combining density functional theory with the dynamical meanfield theory [1], which allows for a continuous interpolation between itinerant metals on the one hand, and stronglylocalized insulators on the other hand.
In this talk I will review recent advances in this field, using selected topical examples. We will see how new developments of numerical methods made it possible to address questions that we could not answer a few years ago [2,3]. I will for instance discuss correlation effects in ironbased superconductors, and highlight the effect of Hund's rule coupling in these materials. We will furthermore identify this coupling to be the reason for quite a number of unexpected properties in 3d in 4d materials [46].
Although these examples will show that we have seen tremendous progress in the ab initio description of correlated matter in recent years, we are still not at the end of the road to true predictive power. I will discuss the open issues in the context of one of our current research focuses, which are spinorbit coupled correlated systems, such as iridium oxide crystals [7] and heterostructures.
[1] G. Kotliar et al., Rev. Mod. Phys. 78, 865, (2006).
[2] M. Aichhorn et al., Phys. Rev. B 80, 085101 (2009).
[3] M. Aichhorn et al., Comp. Phys. Comm. 204, 200 (2016).
[4] M. Aichhorn et al., Phys. Rev. B 82, 064504 (2010)
[5] J. Mravlje et al., Phys. Rev. Lett. 108, 197202 (2012).
[6] M. Zingl et al., Phys. Rev. B 94, 045130 (2016).
[7] C. Martins et al., Phys. Rev. Lett. 107, 266404 (2012).
Originalsprache  englisch 

Publikationsstatus  Veröffentlicht  8 Nov 2016 
Veranstaltung  Physikalisches Kolloquium  TU Graz, Graz, Österreich Dauer: 8 Nov 2016 → … 
Sonstiges
Sonstiges  Physikalisches Kolloquium 

Land  Österreich 
Ort  Graz 
Zeitraum  8/11/16 → … 
Fields of Expertise
 Advanced Materials Science
Treatment code (Nähere Zuordnung)
 Basic  Fundamental (Grundlagenforschung)
 Theoretical
 Review
Kooperationen
 NAWI Graz
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