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

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 assum...

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Detalles Bibliográficos
Autores: Bonini, John, Ren, Shang, Vanderbilt, David, Stengel, Massimiliano, Dreyer, Cyrus E., Coh, Sinisa
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2023
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/331078
Acceso en línea:http://hdl.handle.net/10261/331078
http://arxiv.org/abs/2208.14593v1
Access Level:acceso abierto
Palabra clave:Magnetism
Magnons
Phonons
Spin dynamics
Spin-orbit coupling
Spin-phonon coupling
Magnetic insulators
Descripción
Sumario: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.