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Published on: August 18, 2017
Frequency Splitting of Chiral Phonons from Broken Time-Reversal Symmetry in CrI_{3}
John Bonini1, Shang Ren2, David Vanderbilt2
1Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, New York 10010, USA.
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.
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