TY  - INPR
A1  - Akram, Muhammad
A1  - Kapeghian, Jesse
A1  - Das, Jyotirish
A1  - Valentí, Roser
A1  - Botana, Antia S.
A1  - Erten, Onur
T1  - Theory of moiré magnetism in twisted bilayer α-RuCl3
T2  - arXiv
N2  - Twisted heterostructures of van der Waals materials have received much attention for their many remarkable properties. Here, we present a comprehensive theory of the long-range ordered magnetic phases of twisted bilayer α-RuCl3 via a combination of first-principles calculations and atomistic simulations. While a monolayer exhibits zigzag antiferromagnetic order with three possible ordering wave vectors, a rich phase diagram is obtained for moiré superlattices as a function of interlayer exchange and twist angle. For large twist angles, each layer spontaneously picks a single zigzag ordering wave vector, whereas, for small twist angles, the ground state involves a combination of all three wave vectors in a complex hexagonal domain structure. This multi-domain order minimizes the interlayer energy while enduring the energy cost due to the domain wall formation. Our results indicate that magnetic frustration due to stacking-dependent interlayer exchange in moiré superlattices can be used to tune the magnetic ground state and enhance quantum fluctuations in α-RuCl3.
KW  - 2D vdW magnets
KW  - α-RuCl3
KW  - moiré patterns
Y1  - 2023
UR  - http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/82422
UR  - https://nbn-resolving.org/urn:nbn:de:hebis:30:3-824223
UR  - https://arxiv.org/abs/2310.12211v1
IS  - 2310.12211 Version 1
PB  - arXiv
ER  -