Frequency Splitting of Chiral Phonons from Broken Time-Reversal Symmetry in CrI3

John Bonini, Shang Ren, David Vanderbilt, Massimiliano Stengel, Cyrus E. Dreyer, and Sinisa Coh
Phys. Rev. Lett. 130, 086701 – Published 21 February 2023
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Abstract

Conventional approaches for lattice dynamics based on static interatomic forces do not fully account for the effects of time-reversal-symmetry breaking in magnetic systems. Recent approaches to rectify this involve incorporating the first-order change in forces with atomic velocities under the assumption of adiabatic separation of electronic and nuclear degrees of freedom. In this Letter, we develop a first-principles method to calculate this velocity-force coupling in extended solids and show via the example of ferromagnetic CrI3 that, due to the slow dynamics of the spins in the system, the assumption of adiabatic separation can result in large errors for splittings of zone-center chiral modes. We demonstrate that an accurate description of the lattice dynamics requires treating magnons and phonons on the same footing.

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  • Received 1 September 2022
  • Accepted 19 January 2023

DOI:https://doi.org/10.1103/PhysRevLett.130.086701

© 2023 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

John Bonini1, Shang Ren2, David Vanderbilt2, Massimiliano Stengel3,4, Cyrus E. Dreyer5,1, and Sinisa Coh6

  • 1Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, New York 10010, USA
  • 2Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08845-0849, USA
  • 3Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Campus UAB, 08193 Bellaterra, Spain
  • 4ICREA-Institució Catalana de Recerca i Estudis Avançats, 08010 Barcelona, Spain
  • 5Department of Physics and Astronomy, Stony Brook University, Stony Brook, New York 11794-3800, USA
  • 6Materials Science and Mechanical Engineering, University of California, Riverside, California 92521, USA

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Issue

Vol. 130, Iss. 8 — 24 February 2023

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