Phonons in complex twisted crystals: Angular momenta, interactions, and topology
Abstract
We report phonons and their interactions are critically important for a variety of energy-relevant applications ranging from low thermal resistance substrates to thermal barrier coatings. Fundamental insights into the nature of phonons and allowed interactions are governed by the underlying symmetries of the crystal lattice. In this paper, we provide a comprehensive and detailed description of lattice dynamics derived from twist symmetries of chiral and achiral crystals—twist dynamics. Phonon bands naturally carry quantized crystal angular momentum derived from rotational phases, which give insights into the nature of band crossings and avoided crossings, selection rules for phonon interactions, and topological band crossing behaviors. Twist dynamics is demonstrated for a variety of materials covering a range of space groups, symmetry operations, twist axis orientations, and constituent elements. Furthermore, twist symmetry offers insights into peculiar features observed in scattering measurements. In this context, we present inelastic neutron scattering measurements for rutile TiO2 and explain them using twist dynamics.
- Authors:
-
[1];
[1];
[1];
[1];
[1];
[1];
[1];
[1]
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division
- OSTI Identifier:
- 1888927
- Grant/Contract Number:
- AC05-00OR22725; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. B
- Additional Journal Information:
- Journal Volume: 106; Journal Issue: 9; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; lattice dynamics; phonons; symmetry protected topological states; density functional calculations; inelastic neutron scattering
Citation Formats
Juneja, Rinkle, Li, Xun, Thebaud, Simon, Moseley, Duncan, Cheng, Yongqiang, Hermann, Raphael P., Lindsay, Lucas, and Manley, Michael E. Phonons in complex twisted crystals: Angular momenta, interactions, and topology. United States: N. p., 2022.
Web. doi:10.1103/physrevb.106.094310.
Juneja, Rinkle, Li, Xun, Thebaud, Simon, Moseley, Duncan, Cheng, Yongqiang, Hermann, Raphael P., Lindsay, Lucas, & Manley, Michael E. Phonons in complex twisted crystals: Angular momenta, interactions, and topology. United States. https://doi.org/10.1103/physrevb.106.094310
Juneja, Rinkle, Li, Xun, Thebaud, Simon, Moseley, Duncan, Cheng, Yongqiang, Hermann, Raphael P., Lindsay, Lucas, and Manley, Michael E. Thu .
"Phonons in complex twisted crystals: Angular momenta, interactions, and topology". United States. https://doi.org/10.1103/physrevb.106.094310. https://www.osti.gov/servlets/purl/1888927.
@article{osti_1888927,
title = {Phonons in complex twisted crystals: Angular momenta, interactions, and topology},
author = {Juneja, Rinkle and Li, Xun and Thebaud, Simon and Moseley, Duncan and Cheng, Yongqiang and Hermann, Raphael P. and Lindsay, Lucas and Manley, Michael E.},
abstractNote = {We report phonons and their interactions are critically important for a variety of energy-relevant applications ranging from low thermal resistance substrates to thermal barrier coatings. Fundamental insights into the nature of phonons and allowed interactions are governed by the underlying symmetries of the crystal lattice. In this paper, we provide a comprehensive and detailed description of lattice dynamics derived from twist symmetries of chiral and achiral crystals—twist dynamics. Phonon bands naturally carry quantized crystal angular momentum derived from rotational phases, which give insights into the nature of band crossings and avoided crossings, selection rules for phonon interactions, and topological band crossing behaviors. Twist dynamics is demonstrated for a variety of materials covering a range of space groups, symmetry operations, twist axis orientations, and constituent elements. Furthermore, twist symmetry offers insights into peculiar features observed in scattering measurements. In this context, we present inelastic neutron scattering measurements for rutile TiO2 and explain them using twist dynamics.},
doi = {10.1103/physrevb.106.094310},
journal = {Physical Review. B},
number = 9,
volume = 106,
place = {United States},
year = {Thu Sep 22 00:00:00 EDT 2022},
month = {Thu Sep 22 00:00:00 EDT 2022}
}
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