Related papers: Calculated Spin Fluctuational Pairing Interaction …
We summarize our recent theoretical studies on the spin dynamics in the normal state of the metallic cuprates. The contrasting wave vector dependence of the dynamical spin structure factor $S({\bf q}, \omega )$ in LaSrCuO and YBaCuO systems…
We develop the realistic minimal electronic model for recently discovered BiS$_2$ superconductors including the spin-orbit coupling based on a first-principles band structure calculations. Due to strong spin-orbit coupling, characteristic…
The pseudogap phenomena in High-$T_{{\rm c}}$ cuprates are investigated on the basis of the Hubbard model which includes only the on-site repulsive interaction $U$. We consider the pairing scenario for the pseudogap. The pseudogap arises…
The combination of the local-density approximation (LDA) with the rotationally invariant slave-boson theory (RISB) is used to investigate the realistic correlated electronic structure of Sr$_3$Ru$_2$O$_7$. From Wannier-downfolding the…
Including on-site electronic interactions described by the multi-orbital Hubbard model we study the correlation effects in the electronic structure of bulk palladium. We use a combined density functional and dynamical mean field theory,…
We study the ground state quantum spin fluctuations around the N\'eel ordered state for the one-band ($t,U$) Hubbard model on a site-diluted square lattice. An effective spin Hamiltonian, $H_{\rm s}^{(4)}$, is generated using the canonical…
We present a new density-functional method of the self-consistent electronic-structure calculation which does not exploit any local density approximations (LDA). We use the exchange-correlation energy which consists of the exact exchange…
We investigate the Hubbard model on the triangular lattice at half-filling using the dynamical cluster approximation (DCA) and dual fermion (DF) methods in combination with continuous-time quantum Monte carlo (CT QMC) and semiclassical…
We perform systematic density functional theory (DFT) calculations to assess the performance of various exchange-correlation potentials $V_{xc}$ in describing the chalcogenide GaM$_4$Q$_8$ lacunar spinels (M=Mo, V, Nb, Ta; Q=S, Se). We…
Using large-scale dynamical cluster quantum Monte Carlo simulations, we explore the unconventional superconductivity in the hole-doped Hubbard model on the triangular lattice. Due to the interplay of electronic correlations, geometric…
Electronic Raman scattering with in and out of (ab) plane polarizations have been performed on HgBa2Ca2Cu3O8+d in a slightly underdoped single crystal with a critical temperature Tc=122 K. We find that the d-wave pairing gap at the…
Doping and strain dependences of the electronic structure of the CuO6-octahedra layer within LDA+GTB method in the frameworks of six-band p-d model are calculated. Band structure and Fermi surface of the quasiparticle excitations in the…
The multielectron LDA+GTB approach has been developed to calculate electronic structure of strongly correlated cuprates. At low energies the effective Hamiltonian of the $t - t' - t" - {t_ \bot } - {J^ * } - {J_ \bot }$-model has been…
This review is devoted to generalization of dynamical mean-field theory (DMFT) for strongly correlated electronic systems towards the account of different types of additional interactions, necessary for correct physical description of many…
We apply the spin-fermion model to study the normal state and pairing instability in electron-doped cuprates near the antiferromagnetic QCP. Peculiar frequency dependencies of the normal state properties are shown to emerge from the…
The explanation of the anomalous behavior in $\kappa$-type (BEDT-TTF)$_2$X which was revealed by the nuclear magnetic resonance experiments is presented. We calculate the electronic properties by using the one-loop approximation for the…
We analyze a model for electronic structure and interactions in twisted transition metal chalcogenide WSe$_2$ for superconductivity. In this material, spin-orbit scattering locks the z-components of spins of low-energy fermions near the…
We propose a computational method that simplifies drastically the inclusion of spin-orbit interaction in density functional theory implemented on localised atomic orbital basis sets. Our method is based on a well-known procedure for…
Effects of coupling between phonon distortions and stripe-like spin waves in the CuO plane of HgBa$_2$CuO$_4$ are studied by band calculations. Local exchange enhancements depend sensitively on the local structure around Cu sites.…
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…