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Symmetry-selective quasiparticle scattering and electric field tunability of the ZrSiS surface electronic structure.
Nanotechnology
February 2024
School of Physical and Mathematical Sciences, Nanyang Technological University, 637371, Singapore.
Three-dimensional Dirac semimetals with square-net non-symmorphic symmetry, such as ternary ZrXY (X = Si, Ge; Y = S, Se, Te) compounds, have attracted significant attention owing to the presence of topological nodal lines, loops, or networks in their bulk. Orbital symmetry plays a profound role in such materials as the different branches of the nodal dispersion can be distinguished by their distinct orbital symmetry eigenvalues. The presence of different eigenvalues suggests that scattering between states of different orbital symmetry may be strongly suppressed.
View Article and Find Full Text PDFRelativistic Spin-Orbit Heavy Atom on the Light Atom NMR Chemical Shifts: General Trends Across the Periodic Table Explained.
J Chem Theory Comput
June 2018
Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo nám. 2 , CZ-16610 , Prague , Czech Republic.
The importance of relativistic effects on the NMR parameters in heavy-atom (HA) compounds, particularly the SO-HALA (Spin-Orbit Heavy Atom on the Light Atom) effect on NMR chemical shifts, has been known for about 40 years. Yet, a general correlation between the electronic structure and SO-HALA effect has been missing. By analyzing H NMR chemical shifts of the sixth-period hydrides (Cs-At), we discovered general electronic-structure principles and mechanisms that dictate the size and sign of the SO-HALA NMR chemical shifts.
View Article and Find Full Text PDFMagnetic anisotropy in a heavy atom radical ferromagnet.
J Am Chem Soc
June 2011
Department of Chemistry, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1.
High-field, single-crystal EPR spectroscopy on a tetragonal bisdiselenazolyl ferromagnet has provided evidence for the presence of easy-axis magnetic anisotropy, with the crystallographic c axis as the easy axis and the ab plane as the hard plane. The observation of a zero-field gap in the resonance frequency is interpreted in terms of an anisotropy field several orders of magnitude larger than that observed in light-heteroatom, nonmetallic ferromagnets and comparable (on a per-site basis) to that observed in hexagonal close packed cobalt. The results indicate that large spin-orbit-induced magnetic anisotropies, typically associated with 3d-orbital-based ferromagnets, can also be found in heavy p-block radicals, suggesting that there may be major opportunities for the development of heavy p-block organic magnetic materials.
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