Related papers: Perturbative expansion using variational phonon ba…
We study the one-dimensional Holstein model with spin-1/2 electrons at half-filling. Ground state properties are calculated for long chains with great accuracy using the density matrix renormalization group method and extrapolated to the…
Studies of Hamiltonians modeling the coupling between electrons as well as to local phonon excitations have been fundamental in capturing the novel ordering seen in many quasi-one dimensional condensed matter systems. Extending studies of…
In one dimension the coupling of electrons to phonons leads to a transition from a metallic to a Peierls distorted insulated state if the coupling exceeds a critical value. On the other hand, in two dimensions the electron-phonon…
We study an extended model to describe the spin-lattice coupling, incorporating individual vibrations of bonds and atomic sites alongside distance-dependent exchange interactions. The proposed spin Hamiltonian can be effectively considered…
The polaron features due to electron-phonon interactions with different coupling ranges are investigated by adopting a variational approach. The ground-state energy, the spectral weight, the average kinetic energy, the mean number of…
We present a novel method that appropriately handles both dynamical and static electron correlation in a balanced manner, using a perturbation theory on a spin-extended Hartree-Fock (EHF) wave function reference. While EHF is a suitable…
This article reviews the current status of lattice-dynamical calculations in crystals, using density-functional perturbation theory, with emphasis on the plane-wave pseudo-potential method. Several specialized topics are treated, including…
The normal state of the Holstein model is studied at half-filling in infinite dimensions and in the adiabatic regime. The dynamical mean-field equations are solved using perturbation expansions around the extremal paths of the effective…
Microscopic coupling between the electron spin and the lattice vibration is responsible for an array of exotic properties from morphic effects in simple magnets to magnetodielectric coupling in multiferroic spinels and hematites.…
We present a novel approach to electron-lattice interaction beyond the linear-coupling regime. Based on the solution of a Holstein-Peierls-type model, we derive explicit analytical expressions for the eigenvalue spectrum of the Hamiltonian,…
The role of the electron-phonon interaction in the Holstein-Hubbard model is investigated in the metallic phase close to the Mott transition and in the insulating Mott phase. The model is studied by means of a variational slave boson…
Within the time-dependent Gutzwiller approximation (TDGA) applied to Holstein- and SSH-Hubbard models we study the influence of electron correlations on the phonon self-energy. For the local Holstein coupling we find that the phonon…
The thermodynamic and spectral properties of electrons coupled to quantum phonons are studied within the spinless Holstein model. Using quantum Monte Carlo simulations, we obtain accurate results for the specific heat and the…
On the basis of the self-consistent phonon theory and the special displacement method, we develop an approach for the treatment of anharmonicity in solids. We show that this approach enables the efficient calculation of…
An emerging application of resonant inelastic x-ray scattering (RIXS) is the study of lattice excitations and electron-phonon ($e$-ph) interactions in quantum materials. Despite the growing importance of this area of research, the community…
We investigate the scattering of an electron by phonons in a small structure between two one-dimensional tight-binding leads. This model mimics the quantum electron transport through atomic wires or molecular junctions coupled to metallic…
Cluster perturbation theory in combination with the Lanczos method is used to compute the one-electron spectral function of the Holstein polaron in one and two dimensions. It is shown that the method allows reliable calculations using…
Based on a recently developed variational method, we explore the properties of the Holstein polaron on an infinite lattice in $D$ dimensions, where $ 1 \le D \le 4$. The computational method converges as a power law, so that highly accurate…
We present numerically exact solutions to the problem of a single electron interacting through a long range interaction with optical phonons in two and three dimensions. Comparisons are made with results for the standard Holstein model, and…
A new formalism using the ideas of the augmented space recursion (introduced by one of us) has been proposed to study the ground state properties of ordered and disordered one-dimensional Holstein model. For ordered case our method works…