相关论文: Broken adiabaticity induced by Lifshitz transition…

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…

We present a comprehensive first-principles analysis of the non-adiabatic effects due to the electron-phonon interaction on the vibrational spectrum of the electron-doped monolayer MoS$_{2}$. Deep changes in the Fermi surface upon doping…

We study the behavior of the density of states and the $B_{1g}$ nematic susceptibility extracted from Raman response data across the doping-driven Lifshitz transition comparing the weak and strong interaction cases. Our results were…

We compute, from first-principles, the frequency of the E2g, Gamma phonon (Raman G-band) of graphene, as a function of the charge doping. Calculations are done using i) the adiabatic Born-Oppenheimer approximation and ii) time-dependent…

We study the role of non-adiabatic Holstein electron-phonon coupling on the neutral-ionic phase transition of charge transfer crystals which can be tuned from continuous to discontinuous, using exact numerical diagonalization. The variation…

We perform model calculations for a stretched LiF molecule, demonstrating that nonadiabatic charge transfer effects can be accurately and seamlessly described within a density functional framework. In alkali halides like LiF, there is an…

We investigate the nature of the time-reversal breaking pairing state in the hole-doped monolayer MoS$_{2}$ on the basis of the realistic three-orbital attractive Hubbard-like model with the atomic spin-orbit coupling. Due to the multi-band…

The Born-Oppenheimer approximation leads to the counterintuitive result of a vanishing electronic flux density upon vibrational dynamics in the electronic ground state. To circumvent this long known issue, we propose using pairwise…

Recent studies show that quantum oscillations thought to be associated with a density wave reconstructed Fermi surface disappear at a critical value of the doping for YBa2Cu3O6+y, and the cyclotron mass diverges as the critical value is…

We study the effects of Kohn anomalies on the superconducting properties in electron- and hole-doped cases of monolayer blue phosphorene, considering both adiabatic and non-adiabatic phonon dispersions using first-principles calculations.…

We report on ground state phases of a doped one-dimensional Hubbard model, which for large onsite interactions is governed by the $t$-$J$ Hamiltonian, where the extant entanglement is immutable under perturbative or sudden changes of system…

The nonadiabatic electron-phonon corrections for the superconducting pairing are investigated for a specific tight-binding model corresponding to a 2d square lattice. This permits to investigate the role of various specific properties like…

The unusual Raman spectrum of MgB$_2$ and its formidable temperature dependence are successfully reproduced by means of a parameter-free \emph{ab initio} nonadiabatic theory that accounts for the electron-hole pair scattering mechanisms…

Doping via electrostatic gating is a powerful and widely used technique to tune the electron densities in layered materials. The microscopic details of how these setups affect the layered material are, however, subtle and call for careful…

Using first principle calculations, we examine the sequence of phases in electron doped dichalcogenides, such as recently realized in field-gated MoS$_2$. Upon increasing the electron doping level, we observe a succession of semiconducting,…

Most microscopic descriptions of structural dynamics assume the Born-Oppenheimer separation, where electrons adjust adiabatically to ionic motion. When this separation breaks down, electronic and lattice degrees of freedom can evolve on…

We consider how electron-phonon interaction influences the insulator-metal transitions driven by doping in the strongly correlated system. Using the polaronic version of the generalized tight-binding method, we investigate a multiband…

We theoretically study the de Haas-van Alphen (dHvA) oscillations in the system with changing the topology of the Fermi surface (the Lifshitz transition) by electron dopings. We employ the two-dimensional tight binding model for…

The interaction between electronic and vibrational degrees of freedom is an important mechanism in nonequilibrium charge transport through molecular nanojunctions. While adiabatic polaron-type coupling has been studied in great detail, new…

Motivated by experiments with current biased superconducting atomic point contacts the general problem of nonadiabatic transitions between adiabatic surfaces in presence of strong dissipation is studied. For a single channel device the…