Related papers: Calculated Spin Fluctuational Pairing Interaction …

Spin fluctuation is presumed to be one of the key properties in understanding the microscopic origin of heavy-fermion-like behavior in the class of transition-metal compounds, including LiV$_2$O$_4$, Y(Sc)Mn$_2$, and YMn$_2$Zn$_{20}$. In…

We propose a self-consistent method for electronic structure calculations of correlated systems, which combines the local spin-density approximation (LSDA) and the dynamical mean field theory (DMFT). The LSDA part is based on the exact…

We investigate the interplay of the electron-phonon and the spin fluctuation interaction for the superconducting state of YBa$_2$Cu$_3$O$_{7}$. The spin fluctuations are described within the nearly antiferromagnetic Fermi liquid theory,…

We provide a straightforward and numerically efficient procedure to perform local density approximation + Hubbard I (LDA+HIA) calculations, including self-consistency over the charge density, within the full potential linearized augmented…

Finding a material that turns superconducting under ambient conditions has been the goal of over a century of research, and recently Pb$_{10-x}$Cu$_x$(PO$_4$)$_6$O aka LK-99 has been put forward as a possible contestant. In this work, we…

Results from different sets of band calculations for undoped and doped HgBa$_2$CuO$_4$ show that small changes in localization can lead to very different ground states. The normal LDA results are compared with 'modified' LDA results, in…

With recent discoveries of superconductivity in infinite--layer nickelates, and in La$_{3}$Ni$_{2}$O$_{7}$ under high pressure, new opportunities appeared that yet another family of high--temperature superconductors based on Ni element may…

We present the derivation of an ab-initio and parameter free effective electron-electron interaction that goes beyond the screened RPA and accounts for superconducting pairing driven by spin-fluctuations. The construction is based on many…

The pairing symmetry in the electron mechanism for superconductivity is explored when charge fluctuations coexist with spin fluctuations. The extended Hubbard model is adopted to obtain, with the fluctuation exchange approximation, a phase…

We report on results of the first realistic electronic structure calculations of the Pu-based PuCoGa5 superconductor based on the dynamical mean field theory. We find that dynamical correlations due to the local Coulomb interaction between…

We present a method for calculating the electronic structure of correlated materials based on a truly first-principles LDA+U scheme. Recently we suggested how to calculate U from first-principles, using a method which we named constrained…

We present a self-consistent real space formulation of spin-fluctuation mediated d-wave pairing. By calculating all relevant inhomogeneous spin and charge susceptibilities in real space within the random phase approximation (RPA), we obtain…

The interface electronic structure of correlated LaTiO$_3$/SrTiO$_3$ superlattices is investigated by means of the charge self-consistent combination of the local density approximation (LDA) to density functional theory (DFT) with dynamical…

We present a formalism for strongly correlated electrons systems which consists in a local approximation of the dynamical three-leg interaction vertex. This vertex is self-consistently computed with a quantum impurity model with dynamical…

Pseudogap regime for the prototype high-Tc compounds hole doped Bi2Sr2CaCu2O8-x (Bi2212) and electron doped Nd2-xCexCuO4 (NCCO) is described by means of novel generalized LDA+DMFT+Sk approach. Here conventional dynamical mean-field theory…

We propose that the superconducting pairing symmetry of organic superconductors $\kappa$-(BEDT-TTF)$_{2}$X can be determined by measuring the position in momentum space of the incommensurate peaks of the spin susceptibility. We show that…

In this work we study interacting electrons on square lattice in the presence of strong Rashba spin-orbit interaction. The spin-orbit term forces the time-reversal electron states to be paired in even Cooper channels. For concreteness, we…

A consistent picture on the mean-field level of the magnetic properties and electronic structure of the superconducting itinerant ferromagnet UGe$_2$ is shown to require inclusion of correlation effects beyond the local density…

Material specific electronic band structure of the electron-doped high-Tc cuprate Nd(1.85)Ce(0.15)CuO(4) (NCCO) is calculated within the pseudo gap regime, using the recently developed generalized LDA+DMFT+Sigma_k scheme. LDA/DFT (density…

The Hubbard model is the simplest model that is believed to exhibit superconductivity arising from purely repulsive interactions, and has been extensively applied to explore a variety of unconventional superconducting systems. Here we study…