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- ItemMagnetization-driven Lifshitz transition and charge-spin coupling in the kagome metal YMn6Sn6(London : Springer Nature, 2022) Siegfried, Peter E.; Bhandari, Hari; Jones, David C.; Ghimire, Madhav P.; Dally, Rebecca L.; Poudel, Lekh; Bleuel, Markus; Lynn, Jeffrey W.; Mazin, Igor I.; Ghimire, Nirmal J.The Fermi surface (FS) is essential for understanding the properties of metals. It can change under both conventional symmetry-breaking phase transitions and Lifshitz transitions (LTs), where the FS, but not the crystal symmetry, changes abruptly. Magnetic phase transitions involving uniformly rotating spin textures are conventional in nature, requiring strong spin-orbit coupling (SOC) to influence the FS topology and generate measurable properties. LTs driven by a continuously varying magnetization are rarely discussed. Here we present two such manifestations in the magnetotransport of the kagome magnet YMn6Sn6: one caused by changes in the magnetic structure and another by a magnetization-driven LT. The former yields a 10% magnetoresistance enhancement without a strong SOC, while the latter a 45% reduction in the resistivity. These phenomena offer a unique view into the interplay of magnetism and electronic topology, and for understanding the rare-earth counterparts, such as TbMn6Sn6, recently shown to harbor correlated topological physics.
- ItemQuantum chemical insights into hexaboride electronic structures: correlations within the boron p-orbital subsystem(London : Springer Nature, 2022) Petersen, Thorben; Rößler, Ulrich K.; Hozoi, LiviuThe notion of strong electronic correlations arose in the context of d-metal oxides such as NiO but can be exemplified on systems as simple as the H2 molecule. Here we shed light on correlation effects on B62− clusters as found in MB6 hexaborides and show that the B 2p valence electrons are fairly correlated. B6-octahedron excitation energies computed for CaB6 and YbB6 agree with peak positions found by resonant inelastic x-ray scattering, providing a compelling picture for the latter. Our findings characterize these materials as very peculiar p-electron correlated systems and call for more involved many-body investigations within the whole hexaboride family, both alkaline- and rare-earth compounds, not only for N- but also (N ± 1)-states defining e. g. band gaps.