Quasiparticle twist dynamics in non-symmorphic materials

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Abstract

Quasiparticle physics underlies our understanding of the microscopic dynamical behaviors of materials that govern a vast array of properties, including structural stability, excited states and interactions, dynamical structure factors, and electron and phonon conductivities. Thus, understanding band structures and quasiparticle interactions is foundational to the study of condensed matter. Here we advance a ‘twist’ dynamical description of quasiparticles (including phonons and Bloch electrons) in non-symmorphic chiral and achiral materials. Such materials often have structural complexity, strong thermal resistance, and efficient thermoelectric performance for waste heat capture and clean refrigeration technologies. The twist dynamics presented here provides a novel perspective of quasiparticle behaviors in such complex materials, in particular highlighting how non-symmorphic symmetries determine band crossings and anti-crossings, topological behaviors, quasiparticle interactions that govern transport, and observables in scattering experiments. We provide specific context via neutron scattering measurements and first-principles calculations of phonons and electrons in chiral tellurium dioxide. Building twist symmetries into the quasiparticle dynamics of non-symmorphic materials offers intuition into quasiparticle behaviors, materials properties, and guides improved experimental designs to probe them. More specifically, insights into the phonon and electron quasiparticle physics presented here will enable materials design strategies to control interactions and transport for enhanced thermoelectric and thermal management applications.

Original languageEnglish
Article number100548
JournalMaterials Today Physics
Volume21
DOIs
StatePublished - Nov 2021

Funding

This work was supported by the US Department of Energy , Office of Science , Office of Basic Energy Sciences , Material Sciences and Engineering Division . Computational resources were provided by the National Energy Research Scientific Computing Center ( NERSC ), a DOE Office of Science User Facility supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231 . A portion of this research (INS at HYSPEC and ARCS) used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by Oak Ridge National Laboratory. This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Material Sciences and Engineering Division. Computational resources were provided by the National Energy Research Scientific Computing Center (NERSC), a DOE Office of Science User Facility supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. A portion of this research (INS at HYSPEC and ARCS) used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by Oak Ridge National Laboratory.

FundersFunder number
U.S. Department of Energy
Office of ScienceDE-AC02-05CH11231
Basic Energy Sciences
Oak Ridge National Laboratory

    Keywords

    • Chiral quasiparticles
    • Lattice dynamics
    • Neutron scattering
    • Tellurium dioxide
    • Thermal transport

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