SKM 2023 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 10: Topological Insulators (joint session MA/TT)
MA 10.2: Vortrag
Montag, 27. März 2023, 15:15–15:30, HSZ 403
High thorughput magnetic topological materials search II — •Iñigo Robredo1,2, Yuanfeng Xu3,4, Andrei Bernevig2,3, Claudia Felser1, Nicolas Regnault3,6, Luis Elcoro5, and Maia G. Vergniory1,2 — 1MPI CPFS Dresden — 2DIPC — 3Princeton University — 4Zhejiang University — 5Basque Country University — 6Sorbonne Université
The development of topological quantum chemistry has proven to be a game changing tool for predicting topological phases in realistic materials, both non-magnetic and magnetic. Building on the work of previous studies, in this work we expand the family of magnetic insulators and semimetals with non-trivial topological properties. We analyzed 408 magnetic structures from the Bilbao Crystallographic Server magnetic database, whose crystal and magnetic structures have been experimentally reported. To take into account the localized nature of magnetic elements, we perform electronic structure calculations and topological diagnosis as a function of the Hubabrd U parameter. This results in a topological phase iagram for each material as a function of the Hubbard interaction potential. We provide full details of the materials, which can be readily grown to explore their new topological phenomena.