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SUMMARY:Dynamical Mean-Field Theory for Correlated Materials - Eva Pavarin
 i\,  Peter Grünberg Institut\, Forschungszentrum Jülich\, Germany
DTSTART:20241202T143000Z
DTEND:20241202T150000Z
UID:TALK224056@talks.cam.ac.uk
CONTACT:Dr Sun-Woo Kim
DESCRIPTION:Strong electron–electron correlations can give rise to surpr
 ising co-operative phenomena\; paradigmatic examples are high-temperature 
 superconductivity\, Mott insulating or heavy fermion behavior\, orbital or
 dering. Explaining such many-body effects in materials is one of the grand
  challenges in condensed-matter physics\, since they typically elude the s
 imple static mean-field description. A major advance was the development o
 f the dynamical mean-field theory (DMFT) and its combination with ab-initi
 o techniques based on density-functional theory (DFT)\, leading to the DFT
 +DMFT method and its extensions [1\,2].\n\nIn this talk I will shortly rev
 iew the DFT+DMFT approach and its success. I will then present results for
  a paradigmatic group of systems\, Sr2RuO4 and its family (Sr2XO4)\, unrav
 elling the puzzling interplay of crystal-field effects\, van-hove singular
 ities\, spin orbit interaction and Coulomb repulsion in these materials [3
 \,4].\n\nAll calculations presented are based on our massively-parallel im
 plementation of the DFT+DMFT method and use Quantum Monte Carlo (QMC) to s
 olve the DMFT impurity problem [1\,2].\n\n[1] E. Pavarini\, Solving the st
 rong-correlation problem in materials\, Rivista del Nuovo Cimento\, Spring
 er-Nature (2021)\n\n[2] Dynamical Mean-Field Theory for Materials\, in  Ev
 a Pavarini and Erik Koch (eds.)\, Simulating Correlations on Computers\, M
 odeling and Simulation\, Vol. 11\, Verlag des Forschungszentrum Jülich\, 
 2021\, ISBN 978-3-95806-529-1\nhttps://www.cond-mat.de/events/correl21/man
 uscripts/pavarini.pdf\n\n[3] N. Samani\, G. Zhang and E. Pavarini\, Phys. 
 Rev. Lett. 132\, 236505 (2024)\n\n[4] G. Zhang and E. Pavarini\, Phys. Rev
 . Lett. 131\, 036504 (2023)\n
LOCATION:https://zoom.us/j/92447982065?pwd=RkhaYkM5VTZPZ3pYSHptUXlRSkppQT0
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