Related papers: Dynamical Screening in Correlated Electron Materia…
The very first dynamical implementation of the combined GW and dynamical mean field scheme "GW+DMFT" for a real material was achieved recently [J.M. Tomczak et al., Europhys. Lett. 100 67001 (2012)], and applied to the ternary transition…
Correlated materials with open-shell d- and f-ions having degenerate band edge states show a rich variety of interesting properties ranging from metal-insulator transition to unconventional superconductivity. The textbook view for the…
We introduced the inter-site electron-electron correlation to the Hubbard III approximation. This correlation was excluded in the Hubbard III approximation and also in the equivalent coherent potential approximation. Including it brings two…
By combining fermion Quantum Monte Carlo (QMC) simulations with diagrammatic theory, we have calculated the dielectric screening and the screened potential, in a quasi 2D Hubbard model for cuprate superconductors with and without 1/r…
The influence of the interaction between electrons on the Aharonov-Bohm effect is investigated in the framework of the Hubbard model. The repulsion between electrons associated with strong correlation is compared with the case of attraction…
We apply the dynamical mean field theory (DMFT) in the iterative perturbation theory(IPT) to doubly degenerate eg bands and triply degenerate tg bands on a simple cubic lattice and calculate the spectrum and optical conductivity in…
Electron-phonon coupling is central to many condensed matter phenomena. Harnessing these effects for novel material functionality in materials always involves non-equilibrium electronic states, which in turn alter quasi-free-carrier density…
Ca$_{3}$Ru$_{2}$O$_{7}$ is a fascinating material that displays physical properties governed by spin-orbit interactions and structural distortions, showing a wide range of remarkable electronic phenomena. Here, we present a…
Search for efficient materials for application in the fields of optoelectronics and photovoltaics are active areas of research across the world. The potential of compounds such as K${_3}$Cu${_3}$P${_2}$ is not yet fully realized. Therefore,…
In this work, we address the question of calculating the local effective Coulomb interaction matrix in materials with strong electronic Coulomb interactions from first principles. To this purpose, we implement the constrained random phase…
We apply the density-matrix renormalization group (DMRG) method to a one-dimensional Hubbard model that lacks Umklapp scattering and thus provides an ideal case to study the Mott-Hubbard transition analytically and numerically. The model…
Electronic screening renormalizes the linear bands of graphene and in the vicinity of the Dirac point, creates a diamond shaped structure in the quasiparticle spectral density. This is a result of electron-plasmon scattering processes which…
Transition-metal phthalocyanine molecules have attracted considerable interest in the context of spintronics device development due to their amenability to diverse bonding regimes and their intrinsic magnetism. The latter is highly…
First-principles dynamical CPA (Coherent-Potential Approximation) for electron correlations has been developed further by taking into account higher-order dynamical corrections with use of the asymptotic approximation. The theory is applied…
The effect of the Hubbard interaction among conduction electrons on the double exchange model is investigated in a ferromagnetic metallic phase. Applying iterative perturbation theory to the Hubbard interaction within dynamical mean field…
Calculations of L-shell x-ray absorption in transition metals are shown to be sensitive to screening, both of the x-ray field and the photoelectron-core hole interaction. This screening is calculated using a generalization of the time…
In quantum magnetism, the virtual exchange of particles mediates an interaction between spins. Here, we show that an inelastic Hubbard interaction fundamentally alters the magnetism of the Hubbard model due to dissipation in spin-exchange…
The comprehension of nonadiabatic dynamics in polyatomic systems relies heavily on the simultaneous advancements in theoretical and experimental domains. The gas-phase electron diffraction (GUED) technique has attracted widespread attention…
A phenomenological approach is presented that allows one to model, and thereby interpret, photoemission spectra of strongly correlated electron systems. A simple analytical formula for the self-energy is proposed. This self-energy describes…
Electronic correlations were long suggested not only to be responsible for the complexity of many novel materials, but also to form essential prerequisites for their intriguing properties. Electronic behavior of iron-based superconductors…