Related papers: Correlation effects in electronic structure of PuC…
We present a first-principles study of the electronic structure and superconducting parameters of the compounds $A$Os$_2$O$_6$ ($A$ = Na, K, Rb, and Cs) and at ambient and applied hydrostatic pressure. We find that the sensitivity of the…
We have introduced a Coulomb correlated normal state to study the superconducting pairing with a Fermi liquid like normal phase background in a 3 dimensional system. The role of the Coulomb correlation has been actively incorporated by…
We study the electronic structure of an exotic superconductor, PdTe employing depth-resolved high resolution photoemission spectroscopy and density functional theory. The valence band spectra exhibit large density of states at the Fermi…
An electronic quantity, the correlation strength, is defined as a necessary step for understanding the properties and trends in strongly correlated electronic materials. As a test case, this is applied to the different phases of elemental…
We review theoretical concepts and models for materials with strongly correlated d- or f electrons. We discuss low-energy effective models and the renormalized band method for Ce-based Kondo lattice systems. They are applied to the analysis…
Dynamical mean-field theory computations of the electron self energy of the Hubbard-Holstein model as a function of electron-phonon and electron-electron interactions are analyzed to gain insight into the dependence of electron-phonon…
We present the first quasi-exact \textit{ab initio} path integral Monte Carlo (PIMC) results for the dynamic local field correction $\widetilde{G}(\mathbf{q},z_l;r_s,\Theta)$ in the imaginary Matsubara frequency domain, focusing on the…
A systematic density functional theory (DFT)+U study is conducted to investigate the electron correlation and spin-orbit coupling (SOC) effects in US3 and USe3. Our calculations reveal that inclusion of the U term is essential to get energy…
We suggest a model for electronic structure of cuprate superconductors that makes it possible to describe evolution of this structure with the doping and provides a new explanation for a number of typical features of cuprates, including the…
Understanding the Fermi surface and low-energy excitations of iron or cobalt pnictides is crucial for assessing electronic instabilities such as magnetic or superconducting states. Here, we propose and implement a new approach to compute…
The similarity of the electronic structures of NaFeAs and other Fe pnictides has been demonstrated on the basis of first-principle calculations. The global double-degeneracy of electronic bands along X-M and R-A direction indicates the…
We find an unconventional nucleation of low temperature paramagnetic metal (PMM) phase with monoclinic structure from the matrix of high-temperature antiferromagnetic insulator (AFI) phase with tetragonal structure in strongly correlated…
We study Coulomb correlation effects and their role in superconductivity of $\varepsilon$-iron under pressure from 12 to 33 GPa by using a combination of density functional and dynamical mean-field theory. Our results indicate a persistence…
Coulomb correlations in the optical spectra of semiconductor quantum dots are investigated using a full-diagonalization approach. The resulting multi-exciton spectra are discussed in terms of the symmetry of the involved states.…
We give a summary of recent progress in the field of electronic structure calculations for materials with strong electronic Coulomb correlations. The discussion focuses on developments beyond the by now well established combination of…
We consider the production of mobile and nonlocal pairwise spin-entangled electrons from tunneling of a BCS-superconductor (SC) to two normal Fermi liquid leads. The necessary mechanism to separate the two electrons coming from the same…
We present detailed LDA'+DMFT investigation of doping dependence of correlation effects in novel K{1-x}Fe{2-y}Se2 superconductor. Calculations were performed at four different hole doping levels, starting from hypothetical stoichiometric…
The dynamics of electrons and atoms interacting with intense and ultrashort optical pulses presents an important problem in physics that cuts across different materials such as semiconductors and metals. The currently available laser…
At strong on-site repulsion $ U $, the fermionic Hubbard model realizes an extremely correlated electron system. In this regime, it is natural to derive the low-energy physics with the help of non-canonical operators acting on a projected…
The strong-coupling perturbation theory (SCPT) for correlated electron systems is extended to the case of full Coulomb interaction. The Coulomb mechanism of the orbital polarization is discussed and attention is paid to the importance of…