Related papers: Heavy-Electron Formation and Bipolaronic Transitio…
Polaron formation following optical absorption is a key process that defines the photophysical properties of many semiconducting transition metal oxides, which comprise an important class of materials with potential optoelectronic and…
The Holstein Molecular Crystal Model is investigated by a strong coupling perturbative method which, unlike the standard Lang-Firsov approach, accounts for retardation effects due to the spreading of the polaron size. The effective mass is…
Focusing on the hole-doped two-dimensional systems of strongly correlated electrons, we examine geometric phases acquired by electronic wave functions as a result of polaron transport around a closed loop. For this study we apply the…
The two-site two-electron Holstein model is studied within a perturbation method based on a variational phonon basis obtained through the modified Lang-Firsov (MLF) transformation. The ground-state wave function and the energy are found out…
The Migdal-Eliashberg theory (MET) describes electrons interacting with phonons in the adiabatic limit when the phonon Debye frequency is much smaller than the Fermi energy. A conventional belief is that MET holds even at strong coupling,…
Exact diagonalization calculations show a continuous transition from delocalized to small polaron behavior as a function of intersite electron-lattice coupling. A transition, found previously at Hartree-Fock level [Yonemitsu et al., Phys.…
We study the effective mass of the bipolarons and essentially the possibility to get both light and strongly bound bipolarons in the Holstein-Hubbard model and some variations in the vicinity of the adiabatic limit. Several approaches to…
We analyze the ground-state properties of strongly-correlated electrons coupled with phonons by means of a generalized Gutzwiller wavefunction which includes phononic degrees of freedom. We study in detail the paramagnetic half-filled…
We explore a novel coupling mechanism of electrons with the transverse optical (TO) phonon branch in a regime when the TO mode becomes highly anharmonic and drives the ferroelectric phase transition. We show that this anharmonicity, which…
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…
Magnetic, dielectric, and magnetoelectric properties in a spin-state transition system are examined, motivated by the recent discovery of a multiferroic behavior in a cobalt oxide. We construct an effective model Hamiltonian based on the…
We develop a theoretical approach to study the transient dynamics and the time-dependent statistics for the Anderson-Holstein model in the regime of strong electron-phonon coupling. For this purpose we adapt a recently introduced…
Using one-dimensional simulations analyzed through the lens of open quantum systems, we study the photoelectron's strong-field dynamics from an atom surrounded by a scattering environment stochastically structured. We theoretically…
Using first-principles density functional theoretical analysis, we predict coexisting ferroelectric and semi-metallic states in two-dimensional monolayer of h-NbN subjected to electric field and in-plane strain ($\epsilon$). At strains…
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 investigate the Holstein mechanism in a single-electron (one-site) system, where unitary evolution intrinsically involves both fermion and boson operators under nonadiabatic conditions. The resulting unitary dynamics and boson-frequency…
We consider the Hubbard-Holstein model in the adiabatic limit to investigate the effects of electron-electron interactions on the electron-phonon coupling. To this aim we compute at any momentum and filling the static charge susceptibility…
The one-dimensional Holstein-Hubbard model with two electrons of opposite spin is studied using an extension of a recently developed quantum Monte Carlo method, and a very simple yet rewarding variational approach, both based on a…
By using variational wave functions and quantum Monte Carlo techniques, we investigate the interplay between electron-electron and electron-phonon interactions in the two-dimensional Hubbard-Holstein model. Here, the ground-state phase…
We revisit the two-site Hubbard-Holstein model by using extended phonon coherent states. The nontrivial singlet bipolaron is studied exactly in the whole coupling regime. The ground-state (GS) energy and the double occupancy probability are…