相关论文: Temperature dependence of the electronic structure…
The role of electron-phonon interactions in iron-based superconductor is currently under debate with conflicting experimental reports on the isotope effect. To address this important issue, we employ the renormalization-group method to…
Motivated by the absence of experimental superconductivity in the metallic Pm-3n phase of AlH3 despite the predictions, we reanalyze its vibrational and superconducting properties at pressures above 99 GPa making use of first-principles…
We solve the anisotropic, full-bandwidth and non-adiabatic Eliashberg equations for phonon-mediated superconductivity by fully including the first vertex correction in the electronic self-energy. The non-adiabatic equations are solved…
Through the integration of the power spectral density, we obtain temperature profiles of both multi-segment harmonic and anharmonic systems, showing the presence of an anomalous negative temperature gradient inside the interfacial segment.…
The translationally invariant diagrammatic quantum perturbation theory (TPT) is applied to the polaron problem on the 1D lattice, modeled through the Holstein Hamiltonian with the phonon frequency omega0, the electron hopping t and the…
Density matrix renormalization group methods are used to investigate the quantum phase diagram of a one-dimensional half-filled ionic Hubbard model with bond-charge attraction, which can be mapped from the Su-Schrieffer-Heeger-type…
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…
Starting from recent advances in the first-principles modeling of polarons, variational polaron equations in the strong-coupling adiabatic approximation are formulated in Bloch space. In this framework, polaron formation energy as well as…
Diamond is studied by path integral molecular dynamics simulations of the atomic nuclei in combination with a tight-binding Hamiltonian to describe its electronic structure and total energy. This approach allows us to quantify the influence…
Phonon-phonon anharmonic effects have a strong influence on the phonon spectrum; most prominent manifestation of these effects are the softening (shift in frequency) and broadening (change in FWHM) of the phonon modes at finite temperature.…
We investigate the temperature dependence of photon coherence properties through two photon interference (TPI) measurements from a single QD under resonant excitation. We show that the loss of indistinguishability is only related to the…
We investigate the effect of electron-phonon coupling on low temperature phases in metallic single-wall carbon nanotubes. We obtain low-temperature phase diagrams of armchair and zigzag type nanotubes with screened interactions with a…
The "standard" theory of a normal metal consists of an effective electron band which interacts with phonons and impurities. The effects due to the electron-phonon interaction are often delineated within the Migdal approximation; the…
Thermoelectric materials convert heat into electricity through thermally driven charge transport in solids, or vice versa for cooling. To be competitive with conventional energy-generation technologies, a thermoelectric material must…
Theoretical and numerical calculations of the optical absorption spectra of excitons interacting with longitudinal-optical phonons in quasi-2D polar semiconductors are presented. In II-VI semiconductor quantum wells, exciton binding energy…
With the ever-increasing sophistication of codes, the verification of the implementation of advanced theoretical formalisms becomes critical. In particular, cross comparison between different codes provides a strong hint in favor of the…
We report on simulations of the degree of polarization entanglement of photon pairs simultaneously emitted from a quantum dot-cavity system that demand revisiting the role of phonons. Since coherence is a fundamental precondition for…
When the electron-phonon coupling is quadratic in the phonon coordinates, electrons can pair to form bipolarons due to phonon zero-point fluctuations, a purely quantum effect. We study superconductivity originating from this pairing…
We report ab initio calculations of the electronic band structure, the corresponding optical spectra, and the phonon dispersion relations of trigonal alpha-HgS (cinnabar). The calculated dielectric functions are compared with unpublished…
Palladium hydrides display the largest isotope effect anomaly known in literature. Replacement of hydrogen with the heavier isotopes leads to higher superconducting temperatures, a behavior inconsistent with harmonic theory. Solving the…