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Dynamical renormalization of electron-phonon coupling in conventional superconductors

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arxiv 2212.08117 v2 pith:LBDHSPQD submitted 2022-12-15 cond-mat.supr-con cond-mat.mtrl-sci

classification cond-mat.supr-concond-mat.mtrl-sci
keywords electron-phononnonadiabaticpropertiesdynamicaleffectsadiabaticanomaliescoupling
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abstract

The adiabatic Born-Oppenheimer approximation is considered to be a robust approach that very rarely breaks down. Consequently, it is predominantly utilized to address various electron-phonon properties in condensed matter physics. By combining many-body perturbation and density functional theories we demonstrate the importance of dynamical (nonadiabatic) effects in estimating superconducting properties in various bulk and two-dimensional materials. Apart from the expected long-wavelength nonadiabatic effects, we found sizable nonadiabatic Kohn anomalies away from the Brillouin zone center for materials with strong intervalley electron-phonon scatterings. Compared to the adiabatic result, these dynamical phonon anomalies can significantly modify electron-phonon coupling strength $\lambda$ and superconducting transition temperature $T_c$. Further, the dynamically-induced modifications of $\lambda$ have a strong impact on transport properties, where probably the most interesting is the rescaling of the low-temperature and low-frequency regime of the scattering time $1/\tau$ from about $T^3$ to about $T^2$, resembling the Fermi liquid result for electron-electron scattering. Our goal is to point out the potential implications of these nonadiabatic effects and reestablish their pivotal role in computational estimations of electron-phonon properties.

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    The superconducting dome in electron-doped MoS2 is recreated from first principles and traced to the 1x1 H to 2x2 charge-density-wave transition and later structural phases.

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