Year: 2025
Type: article
Abstract: We present a comprehensive first-principles study of the magnetoresistance in $\mathrm{ZrSi}X$ $(X= \mathrm{S}, \mathrm{Se}, \mathrm{Te})$ topological nodal-line semimetals. Our study demonstrates that all primary features of the experimentally measured magnetoresistance in these materials are captured by our calculations, including the unusual butterfly-shaped anisotropic magnetoresistance. This anisotropic magnetoresistance can be accurately reproduced using the semiclassical Boltzmann transport theory without introducing any information on the topological nature of bands or the concepts of topological phase transition. Considering the complex structure of the Fermi surface in these topological materials, we develop a theoretical description explaining the features observed in magnetoresistance measurements. Additionally, the atypical Hall resistance can be interpreted using the same semiclassical approach. Our findings establish magnetotransport as a powerful tool for analyzing the geometry of the Fermi surface, complementing angle-resolved photoemission spectroscopy and quantum oscillation measurements. This approach is demonstrated to be particularly useful for determining the role of nontrivial topology in transport properties.
DOI: 10.1103/914y-4gp9
Authors: ShengNan Zhang, Oleg V. Yazyev
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
Funders: École Polytechnique Fédérale de Lausanne, Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung, Centro Svizzero di Calcolo Scientifico, National Supercomputing Centre Singapore, National Center of Competence in Research Materials’ Revolution: Computational Design and Discovery of Novel Materials
OpenAlex ID: W4415939324