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SUMMARY:Spin fluctuations and Wigner thermal transport in thermoelectric s
 kutterudites - Enrico di Lucente\, EPFL
DTSTART:20221102T140000Z
DTEND:20221102T150000Z
UID:TALK192209@talks.cam.ac.uk
CONTACT:Dr M. Simoncelli
DESCRIPTION:Skutterudites are highly promising functional materials due to
  their peculiar thermoelectric and magnetic properties. We elucidate the c
 omplex phenomenology that takes place in these materials both in terms of 
 spin fluctuations and in the crossover from a Peierls-Boltzmann to a Wigne
 r thermal transport regime\, where tunneling of phonon wavepackets emerges
 . We first study the electronic structure using the state-of-the-art DFT+H
 ubbard theory to uncover multiple self-consistent magnetic and charge disp
 roportionated configurations. While the lowest energy state is antiferroma
 gnetic but metallic\, paramagnetic fluctuations captured through a special
  quasi random structure open a small gap of 61 meV\, in good agreement wit
 h experiments. Moreover\, in going from the parent compound to the related
  filled skutterudite\, a transition from a Peierls-Boltzmann to a Wigner t
 hermal transport regime arises\, where\, at working temperature of the dev
 ices\, the tunneling of phonon wavepackets becomes as relevant as the drif
 ting diffusion.
LOCATION:TCM Seminar Room (530)\, Cavendish Laboratory\, Department of Phy
 sics
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