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TT: Fachverband Tiefe Temperaturen
TT 22: Focus Session: Frustrated Magnetism and Local Order (joint session MA/TT)
TT 22.8: Talk
Tuesday, March 19, 2024, 12:30–12:45, H 1058
Frustrated magnetism in novel layered Mott insulators. — •Sergii Grytsiuk1, Mikhail I. Katsnelson1, Erik G.C.P. van Loon2, and Malte Rösner1 — 1Institute for Molecules and Materials, Radboud University, Heijendaalseweg 135, 6525AJ Nijmegen, The Netherlands — 2NanoLund and Division of Mathematical Physics, Physics Department, Lund University, Sweden
Via ab initio down folding, we show that the layered van der Waals distorted kagome compounds Nb3X8 (X=Cl, Br, and I) are Mott insulators. We demonstrate that the monolayer of these compounds has a frustrated triangular AFM order, while in bulk, an intriguing interplay between intra- and interlayer AFM coupling promotes magnetic frustration further. We show that this leads to chiral in-plane spiralisation of frustrated triangular AFM order at high temperatures and strong collinear interlayer AFM coupling at low temperatures. Furthermore, we explain the "mystic" magnetic phase transition and the nature of the putative "non-magnetic" phase at low temperatures observed in Nb3Cl8, which has not been explained theoretically until now. Finally, our finding offers new opportunities for controlling such non-trivial frustrated magnetism in these layered Mott insulators via doping or substrate screening.
Keywords: Mott insulators; layered van der Waals materials; distorted kagome compounds; frustrated triangular AFM; spin-spirals