1. Strain-driven topological phonon phase transition tunable thermal transport in Weyl semimetal TiO
- Author
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Jin, Xin, Ma, Da-shuai, Wang, Rui, Lv, Xuewei, and Yang, Xiaolong
- Subjects
Condensed Matter - Materials Science ,Materials Science (cond-mat.mtrl-sci) ,FOS: Physical sciences ,Computational Physics (physics.comp-ph) ,Physics - Computational Physics - Abstract
Recently, topological phonon states in crystalline materials have attracted significant research interests due to their importance for many fundamental physical phenomena. However, their implication on phonon thermal transport remains largely unexplored. Here, we use both rigorous density functional theory calculations and symmetry analyses to find, surprisingly, that the strain-driven topological phonon phase transition in hexagonal TiO can severely diminish its lattice thermal conductivity (\k{appa}L), with a 78% reduction in \k{appa}L at room temperature. This significant suppression of \k{appa}L is found to be a consequence of increased phonon scattering rates, originating largely from the enlarged three-phonon scattering phase space of heat-carrying acoustic phonons. This is enabled by the breaking of symmetry protected degeneracy of phonon branches, which makes phonon-phonon scattering selection rules easier to satisfy. Our work provides direct evidence for the importance of band topology of phonons in tuning thermal conductivity of topological materials, and also offers a promising route towards controlling solid-state heat transport.
- Published
- 2023
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