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On the room temperature ferroelectricity of hydrogen-bonded charge transfer crystals
Gabriele D'Avino, Matthieu J. Verstraete
We present a theoretical investigation of the anomalous ferroelectricity of mixed-stack charge transfer molecular crystals, based on the Peierls-Hubbard model, and first principles…
Cumulant expansion for phonon contributions to the electron spectral function
S. M. Story, J. J. Kas, F. D. Vila +2
We describe an approach for calculations of phonon contributions to the electron spectral function, including both quasiparticle properties and satellites. The method is based on a…
Thermal Anharmonic Effects in PbTe from First Principles
A. H. Romero, E. K. U. Gross, M. J. Verstraete +1
We investigate the harmonic and anharmonic contributions to the phonon spectrum of lead telluride, and perform a complete characterization of how the anharmonic effects dominate th…