Regensburg 2022 – scientific programme
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TT: Fachverband Tiefe Temperaturen
TT 8: Frustrated Magnets – Strong Spin-Orbit Coupling
TT 8.4: Talk
Monday, September 5, 2022, 18:00–18:15, H10
RuCl3: Phonon (Hall) transport and sibling compounds RuBr3, RuI3 — •David A S Kaib1, Sananda Biswas1, Stephen M Winter2, Kira Riedl1, Aleksandar Razpopov1, Ying Li3, Steffen Backes4, Igor I Mazin5, and Roser Valenti1 — 1Goethe-Universität, Frankfurt, Germany — 2Wake Forest University, Winston-Salem, NC 27109, USA — 3School of Physics, Xi’an Jiaotong University, Xi’an 710049, China — 4Institut Polytechnique de Paris, Route de Saclay, 91128 Palaiseau, France — 5George Mason University, Fairfax, VA 22030, USA
We present results of two studies related to the Kitaev candidate material RuCl3:
Recent experimental studies have pointed to the presence of significant magnetoelastic coupling in RuCl3 and have highlighted unusual thermal transport signatures under magnetic field. We compute the pseudospin-phonon coupling in RuCl3 from first principles and use it to model the intrinsic thermal transport from phonons scattered by spin fluctuations. This includes both the longitudinal as well as the transversal (Hall) conductivity.
In the second part of the talk, we analyze two new sibling compounds to RuCl3: RuBr3 and RuI3. While current samples show a bad metal behavior in RuI3, our first principles calculations predict a Mott insulator close to the Mott-metal transition in the pristine parent compound, with a dominant Kitaev interaction and negligible Heisenberg exchange.