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Frequency Splitting of Chiral Phonons from Broken Time-Reversal Symmetry in CrI_{3}.
Bonini, John; Ren, Shang; Vanderbilt, David; Stengel, Massimiliano; Dreyer, Cyrus E; Coh, Sinisa.
Afiliação
  • Bonini J; Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, New York 10010, USA.
  • Ren S; Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08845-0849, USA.
  • Vanderbilt D; Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08845-0849, USA.
  • Stengel M; Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Campus UAB, 08193 Bellaterra, Spain.
  • Dreyer CE; ICREA-Institució Catalana de Recerca i Estudis Avançats, 08010 Barcelona, Spain.
  • Coh S; Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, New York 10010, USA.
Phys Rev Lett ; 130(8): 086701, 2023 Feb 24.
Article em En | MEDLINE | ID: mdl-36898102
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 CrI_{3} 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.

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article