Corpus ID: 237374053

Anharmonic Lattice Dynamics from Vibrational Dynamical Mean-Field Theory

@inproceedings{Shih2021AnharmonicLD,
  title={Anharmonic Lattice Dynamics from Vibrational Dynamical Mean-Field Theory},
  author={Petra Shih and Timothy C. Berkelbach},
  year={2021}
}
We present a vibrational dynamical mean-field theory (VDMFT) of the dynamics of atoms in solids with anharmonic interactions. Like other flavors of DMFT, VDMFT maps the dynamics of a periodic anharmonic lattice of atoms onto those of a self-consistently defined impurity problem with local anharmonicity and coupling to a bath of harmonic oscillators. VDMFT is exact in the harmonic and molecular limits, nonperturbative, systematically improvable through its clusters extensions, and usable with… Expand

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