Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

Title: Quasiparticle twist dynamics in non-symmorphic materials

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 thermalmore » management applications.« less

Authors:
; ORCiD logo; ; ; ORCiD logo; ; ; ; ORCiD logo; ORCiD logo;
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division
OSTI Identifier:
1829333
Alternate Identifier(s):
OSTI ID: 1827028
Grant/Contract Number:  
AC05-00OR22725; AC02-05CH11231
Resource Type:
Published Article
Journal Name:
Materials Today Physics
Additional Journal Information:
Journal Name: Materials Today Physics Journal Volume: 21 Journal Issue: C; Journal ID: ISSN 2542-5293
Publisher:
Elsevier
Country of Publication:
Netherlands
Language:
English
Subject:
36 MATERIALS SCIENCE; lattice dynamics; chiral quasiparticles; neutron scattering; tellurium dioxide; thermal transport

Citation Formats

Juneja, R., Thébaud, S., Pandey, T., Polanco, C. A., Moseley, D. H., Manley, M. E., Cheng, Y. Q., Winn, B., Abernathy, D. L., Hermann, R. P., and Lindsay, L. Quasiparticle twist dynamics in non-symmorphic materials. Netherlands: N. p., 2021. Web. doi:10.1016/j.mtphys.2021.100548.
Copy to clipboard
Juneja, R., Thébaud, S., Pandey, T., Polanco, C. A., Moseley, D. H., Manley, M. E., Cheng, Y. Q., Winn, B., Abernathy, D. L., Hermann, R. P., & Lindsay, L. Quasiparticle twist dynamics in non-symmorphic materials. Netherlands. https://doi.org/10.1016/j.mtphys.2021.100548
Copy to clipboard
Juneja, R., Thébaud, S., Pandey, T., Polanco, C. A., Moseley, D. H., Manley, M. E., Cheng, Y. Q., Winn, B., Abernathy, D. L., Hermann, R. P., and Lindsay, L. Mon . "Quasiparticle twist dynamics in non-symmorphic materials". Netherlands. https://doi.org/10.1016/j.mtphys.2021.100548.
Copy to clipboard
@article{osti_1829333,
title = {Quasiparticle twist dynamics in non-symmorphic materials},
author = {Juneja, R. and Thébaud, S. and Pandey, T. and Polanco, C. A. and Moseley, D. H. and Manley, M. E. and Cheng, Y. Q. and Winn, B. and Abernathy, D. L. and Hermann, R. P. and Lindsay, L.},
abstractNote = {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.},
doi = {10.1016/j.mtphys.2021.100548},
journal = {Materials Today Physics},
number = C,
volume = 21,
place = {Netherlands},
year = {2021},
month = {11}
}
Copy to clipboard
Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1016/j.mtphys.2021.100548
Copyright Statement
Other availability
Search WorldCat Search WorldCat to find libraries that may hold this journal
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Works referenced in this record:

Topological chiral phonons in center-stacked bilayer triangle lattices
journal, May 2018

  • Xu, Xifang; Zhang, Wei; Wang, Jiaojiao
  • Journal of Physics: Condensed Matter, Vol. 30, Issue 22
  • DOI: 10.1088/1361-648X/aabf5e

Ab initio study of the vibrational properties of crystalline TeO 2 : The α , β , and γ phases
journal, March 2006

Topological phonons in oxide perovskites controlled by light
journal, November 2020

Equivalent expression of Z 2 topological invariant for band insulators using the non-Abelian Berry connection
journal, August 2011

Unconventional superconductivity in magic-angle graphene superlattices
journal, March 2018

Chiral Phonons at High-Symmetry Points in Monolayer Hexagonal Lattices
journal, September 2015

Observation of chiral phonons
journal, February 2018

wannier90: A tool for obtaining maximally-localised Wannier functions
journal, May 2008

  • Mostofi, Arash A.; Yates, Jonathan R.; Lee, Young-Su
  • Computer Physics Communications, Vol. 178, Issue 9
  • DOI: 10.1016/j.cpc.2007.11.016

Tunable double Weyl phonons driven by chiral point group symmetry
journal, March 2021

Weyl, Dirac and high-fold chiral fermions in topological quantum matter
journal, April 2021

Topological insulators for thermoelectrics
journal, September 2017

Topological chiral crystals with helicoid-arc quantum states
journal, March 2019

Negative linear compressibility
journal, January 2015

  • Cairns, Andrew B.; Goodwin, Andrew L.
  • Physical Chemistry Chemical Physics, Vol. 17, Issue 32
  • DOI: 10.1039/C5CP00442J

Double-Weyl Phonons in Transition-Metal Monosilicides
journal, January 2018

Observation of a chiral wave function in the twofold-degenerate quadruple Weyl system BaPtGe
journal, May 2021

Temperature Dependence of Elastic, Dielectric, and Piezoelectric Constants in TeO 2 Single Crystals
journal, May 1970

  • Ohmachi, Yoshiro; Uchida, Naoya
  • Journal of Applied Physics, Vol. 41, Issue 6
  • DOI: 10.1063/1.1659223

High-pressure nuclear inelastic scattering with backscattering monochromatization
journal, August 2019

  • Sergueev, Ilya; Glazyrin, Konstantin; Herrmann, Markus G.
  • Journal of Synchrotron Radiation, Vol. 26, Issue 5
  • DOI: 10.1107/S1600577519008853

High thermoelectric performance of oxyselenides: intrinsically low thermal conductivity of Ca-doped BiCuSeO
journal, May 2013

  • Pei, Yan-Ling; He, Jiaqing; Li, Jing-Feng
  • NPG Asia Materials, Vol. 5, Issue 5
  • DOI: 10.1038/am.2013.15

Metals and DNA: Molecular Left-Handed Complements
journal, August 1986

Three-terminal Weyl complex with double surface arcs in a cubic lattice
journal, July 2020

New classes of three-dimensional topological crystalline insulators: Nonsymmorphic and magnetic
journal, April 2015

Density-Functional Theory of the Energy Gap
journal, November 1983

Observation of higher-order topological acoustic states protected by generalized chiral symmetry
journal, December 2018

Bending and twisting elasticity: A revised Marko-Siggia model on DNA chirality
journal, October 1998

Propagating Chiral Phonons in Three-Dimensional Materials
journal, March 2021

Structure and order parameters in the pressure-induced continuous transition in Te O 2
journal, September 1975

Nonsymmorphic symmetry-required band crossings in topological semimetals
journal, November 2016

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965

Giant anharmonic phonon scattering in PbTe
journal, June 2011

  • Delaire, O.; Ma, J.; Marty, K.
  • Nature Materials, Vol. 10, Issue 8, p. 614-619
  • DOI: 10.1038/nmat3035

Weyl and Dirac semimetals in three-dimensional solids
journal, January 2018

Topological quantum properties of chiral crystals
journal, October 2018

Ultralow thermal conductivity and high thermoelectric figure of merit in mixed valence In 5 X 5 Br (X = S, and Se) compounds
journal, January 2020

  • Pandey, Tribhuwan; Nissimagoudar, Arun S.; Mishra, Avanish
  • Journal of Materials Chemistry A, Vol. 8, Issue 27
  • DOI: 10.1039/D0TA03841E

Filling-Enforced Gaplessness in Band Structures of the 230 Space Groups
journal, August 2016

Colloquium: Topological insulators
journal, November 2010

Avoided crossing of rattler modes in thermoelectric materials
journal, August 2008

  • Christensen, Mogens; Abrahamsen, Asger B.; Christensen, Niels B.
  • Nature Materials, Vol. 7, Issue 10
  • DOI: 10.1038/nmat2273

Topology of nonsymmorphic crystalline insulators and superconductors
journal, May 2016

Elastic properties of single-walled carbon nanotubes
journal, January 2000

Berry’s phase for energy bands in solids
journal, June 1989

Simulation of Inelastic Neutron Scattering Spectra Using OCLIMAX
journal, January 2019

  • Cheng, Y. Q.; Daemen, L. L.; Kolesnikov, A. I.
  • Journal of Chemical Theory and Computation, Vol. 15, Issue 3
  • DOI: 10.1021/acs.jctc.8b01250

Connectivity of energy bands in crystals
journal, March 1999

Symmetry-enforced Weyl phonons
journal, July 2020

Superconductivity in metallic twisted bilayer graphene stabilized by WSe2
journal, July 2020

Chiral topological semimetal with multifold band crossings and long Fermi arcs
journal, May 2019

Elemental tellurium as a chiral p -type thermoelectric material
journal, May 2014

Accidental Degeneracy in the Energy Bands of Crystals
journal, August 1937

Effect of Time-Reversal Symmetry on Energy Bands of Crystals
journal, August 1937

Elementary energy bands in crystals are connected
journal, February 2001

Structure and Thermoelectric Properties of Ba6Ge25−x, Ba6Ge23Sn2, and Ba6Ge22In3: Zintl Phases with a Chiral Clathrate Structure
journal, September 2000

  • Kim, Sung-Jin; Hu, Siqing; Uher, Ctirad
  • Journal of Solid State Chemistry, Vol. 153, Issue 2
  • DOI: 10.1006/jssc.2000.8777

Von Neumann-Wigner theorem: Level repulsion and degenerate eigenvalues
journal, October 2007

Multi-Weyl Topological Semimetals Stabilized by Point Group Symmetry
journal, June 2012

Selection rules for polymers and quasi one-dimensional crystals. II. Kronecker products for the line groups isogonal to D n
journal, March 1984

  • Damnjanovic, M.; Bozovic, I.; Bozovic, N.
  • Journal of Physics A: Mathematical and General, Vol. 17, Issue 4
  • DOI: 10.1088/0305-4470/17/4/016

Symmetry-driven phonon chirality and transport in one-dimensional and bulk B a 3 N -derived materials
journal, December 2018

  • Pandey, Tribhuwan; Polanco, Carlos A.; Cooper, Valentino R.
  • Physical Review B, Vol. 98, Issue 24
  • DOI: 10.1103/PhysRevB.98.241405

Chiral and Achiral Crystal Structures
journal, April 2003

Crystallographic shelves: space-group hierarchy explained
journal, September 2018

  • Nespolo, Massimo; Aroyo, Mois Ilia; Souvignier, Bernd
  • Journal of Applied Crystallography, Vol. 51, Issue 5
  • DOI: 10.1107/S1600576718012724

Electronic level degeneracy in nonsymmorphic periodic or aperiodic crystals
journal, December 1997

Nonlinear optical properties of TeO 2 crystalline phases from first principles
journal, June 2011

    Sort by:
    [ × clear filter / sort ]

    Similar Records in DOE PAGES and OSTI.GOV collections: