Related papers: Density Functional Theory and Generalized Tight-Bi…
In recent years, remarkable progress has been made towards encoding and processing quantum information in the large Hilbert space of bosonic modes. Mechanical resonators are of great interest for this purpose, since they confine many high…
Typical density-functional theory calculations that wrongly predict undoped cuprates to be metallic also predict Cu-O half- and full-breathing phonon energies that are significantly softer than observed, presumably because of weak on-site…
We present a first principles investigation of the lattice dynamics and electron-phonon coupling of the superconductor MgB_2 and the isostructural AlB_2 within the framework of density functional perturbation theory using a mixed-basis…
Interaction between electron and acoustic phonon in an in-plane magnetic field induced gapped quantum wire with Rashba spin-orbit interaction is studied. We calculate acoustic phonon limited resistivity ($\rho$) and phonon-drag thermopower…
We propose a numerical method which embeds the variational non-Gaussian wavefunction approach within exact diagonalization, allowing for efficient treatment of correlated systems with both electron-electron and electron-phonon interactions.…
This paper presents the calculation results of electron-phonon interactions within the LuH$_2$, LuH$_3$, and LuN systems under 0 GPa and 10 GPa via density functional theory at the GGA-PBE level. The purpose of this work is to provide…
We describe a peculiar fine structure acquired by the in-plane optical phonon at the Gamma-point in graphene when it is brought into resonance with one of the inter-Landau-level transitions in this material. The effect is most pronounced…
We investigate the ground state properties of the bipolaron coupled to quantum dispersive optical phonons in the one-dimensional Holstein-Hubbard model. We concentrate on the interplay between the phonon dispersion and the Coulomb repulsion…
Cuprate superconductors host a multitude of low-energy optical phonons. Using time- and angle-resolved photoemission spectroscopy, we study coherent phonons in Bi$_{2}$Sr$_{2}$Ca$_{0.92}$Y$_{0.08}$Cu$_{2}$O$_{8+\delta}$. Sub-meV modulations…
We introduce a new type of Gutzwiller variational wavefunction for correlated electrons coupled to phonons, able to treat on equal footing electronic and lattice degrees of freedom. We benchmark the wavefunction in the infinite-$U$…
We construct a many-body model Hamiltonian to capture how phonons renormalize exciton binding as a function of temperature. By using the GW approximation and density functional perturbation theory, we are able to parameterize this…
A strong electron-phonon interaction arises from the modulation of the superexchange interaction by lattice vibrations. It is responsible for the softening of the half-breathing modes around (pm pi/a,0) and (0, pm pi/a) in the…
A method is proposed for the inclusion of electron correlation in the calculation of the temperature dependence of band structures arising from electron-phonon coupling. It relies on an efficient exploration of the vibrational phase space…
The dispersion of the in-plane Cu-O bond-stretching LO phonon mode in the high-$T_{C}$ superconducting cuprates shows strong softening with doping near the zone boundary. We suggest that it can be described with a negative electronic…
We study two identical fermions, or two hard-core bosons, in an infinite chain and coupled to phonons by interactions that modulate their hopping as described by the Peierls/Su-Schrieffer-Heeger (SSH) model. We show that exchange of phonons…
The crystal structure and lattice phonons of (BEDT-TTF)_2I_3 superconducting \beta-phase are computed and analyzed by the Quasi Harmonic Lattice Dynamics (QHLD) method. Whereas the crystal structure and its temperature and pressure…
The interaction between phonons and high-energy excitations of electronic origin in cuprates and their role in the superconducting mechanisms is still controversial. Here we use coherent vibrational time-domain spectroscopy together with…
This research aims to investigate the synergistic effect between charge density wave, selective electron-phonon coupling under antiferromagnetic fluctuations, as well as the unusual electron distribution observed in ARPES data in YBa2Cu3Ox…
Using a multistep renormalization group method, we study the low-temperature phases of the interacting one-dimensional (1D) electron gas coupled to phonons. We obtain analytic expressions for the weak-coupling quantum phase boundaries of…
We present a Quantum Monte Carlo (QMC) study, based on the Langevin equation, of a Hamiltonian describing electrons coupled to phonon degrees of freedom. The bosonic part of the action helps control the variation of the field in imaginary…