Berlin 2024 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 38: Topological Semimetals I
TT 38.7: Vortrag
Mittwoch, 20. März 2024, 11:00–11:15, H 3010
Electronic structure of the noncentrosymmetric B20-type compound HfSn — •Dijana Milosavljevic1, Helge Rosner2, and Annika Johansson1 — 1Max Planck Institute of Microstructure Physics, Halle, Germany — 2Max Planck Institute for Chemical Physics of Solids, Dresden, Germany
We present a density functional study of HfSn, which belongs to the family of cubic B20 intermetallics. These materials are characterized by the absence of mirror and inversion symmetries of their crystal structures, leading to a chiral character that can accommodate a novel type of topological fermionic excitations and a wide range of exotic physical properties [1][2][3]. HfSn is the first known member of the B20 family with a transition metal from the fourth group and can only be synthesized at high temperatures [4]. Here, we present a detailed study of the electronic band structure and Fermi surface topology, employed then to construct an effective tight-binding model. Additionally, we investigate the influence of the structural details on the position of the multiply degenerate band crossings pinned at high symmetry points in the vicinity of the Fermi level. This study contributes not only to a better understanding of B20 compounds but also represents a guide to further experimental investigations, in particular those related to sample preparation.
[1] Fecher et al., Materials 17 (2022) 5812
[2] Chang et al., Nat. Mater. 17 (2018) 978
[3] Schröter et al., Science 369 (2020) 6500
[4] Schob et al., Acta Cryst. 17, 452
Keywords: electronic structure; B20 crystal structure; semimetal; symmetry-enforced features; chirality