Polaronic and Nonadiabatic Phase Diagram from Anomalous Isotope Effects

Nonadiabatic polaronic superconductivity in MgB2 and cuprates

Nonequilibrium H/D isotope effects from trajectory-based nonadiabatic dynamics.

Ground-state equilibrium kinetic isotope effects can be treated well in the framework of transition state theory, whereas excited-state nonequilibrium isotope effects are theoretically less explored. In this article we show for the first time that trajectory-based nonadiabatic dynamics simulations are able to reproduce experimental values for nonequilibrium H/D isotope effects in excited-state ...

Anomalous impurity effects in nonadiabatic superconductors

– We show that, in contrast with the usual electron-phonon Migdal-Eliashberg theory, the critical temperature Tc of an isotropic s-wave nonadiabatic superconductor is strongly reduced by the presence of diluted non-magnetic impurities. Our results suggest that the recently observed Tc-suppression driven by disorder in K3C60 (Phys. Rev. B 55, 3866 (1997)) and in Nd2−xCexCuO4−δ (Phys. Rev. B 58, ...

Analysis of kinetic isotope effects for nonadiabatic reactions.

Factors influencing the rates of quantum mechanical particle transfer reactions in many-body systems are discussed. The investigations are carried out on a simple model for a proton transfer reaction that captures generic features seen in more realistic models of condensed phase systems. The model involves a bistable quantum oscillator coupled to a one-dimensional double-well reaction coordinat...

Anomalous isotope effects of fulleride superconductors

The numerical calculations of the standard Eliashberg-Nambu strong coupling theory and a formula of isotope effect derived in this paper provide direct evidences that an-harmonic vibrations of lattice enhance isotope effect with anomalous coefficient α > 1/2. The results in this paper explain very well the wide distributed α values for the samples with different ratios of substitutions of 12C b...