Related papers: Orbital-dependent correlations in PuCoGa$_5$

Local density approximation (LDA) to the density functional theory (DFT) has continuous derivative of total energy as a number of electrons function and continuous exchange-correlation potential, while in exact DFT both should be…

At a temperature of roughly 1\,K, \ce{Sr2RuO4} undergoes a transition from a normal Fermi liquid to a superconducting phase. Even while the former is relatively simple and well understood, the superconducting state is not even after 25…

The electronic and magnetic properties of many strongly-correlated systems are controlled by a limited number of states, located near the Fermi level and well isolated from the rest of the spectrum. This opens a formal way for combining the…

Plutonium is a critically important material as the behavior of its 5f-electrons stands midway between the metallic-like itinerant character of the light actinides and localized atomic-core-like character of the heavy actinides. The…

We generalize the dynamical-mean field (DMFT) approximation by including into the DMFT equations some length scale via a (momentum dependent) ``external'' self-energy \Sigma_k. This external self-energy describes non-local dynamical…

Electron collisions for a two dimensional Fermi liquid (FL) are shown to give a quasiparticle damping with interesting frequency and temperature variations in the BCS superconducting state. The spin susceptibility which determines the…

We have developed a generalized electronic phase separation model of high-temperature cuprate superconductors that links the two distinct energy scales of the superconducting (SC) and pseudogap (PG) phases via a charge-density-wave (CDW)…

The 4f-electron delocalization plays a key role in the low-temperature properties of rare-earth metals and intermetallics, including heavy fermions and mix-valent compounds, and is normally realized by the many-body Kondo coupling between…

Based on its condensed-matter properties, crystal structure, and metallurgy, which includes a phase diagram with six allotropic phases, plutonium is one of the most complicated pure elements in its solid state. Its anomalous properties,…

By using a relativistic linear augmented-plane-wave method with the one-electron potential in the local-density approximation, we investigate energy band structures and the Fermi surfaces of transuranium compounds NpTGa$_5$, PuTGa$_5$, and…

We suggest that Cobalt-Oxychalcogenide layers constructed by vertex sharing CoA$_2$O$_2$ (A=S,Se,Te) tetrahedra, such as BaCoAO, are strongly correlated multi-orbital electron systems that can provide important clues on the cause of…

We study the role of electron correlations in the presumed type II Weyl semimetallic candidate $\gamma$-MoTe$_2$ by employing density functional theory (DFT) where the on-site Coulomb repulsion (Hubbard U) for the Mo 4$d$ states is included…

We study the dopant-induced inhomogeneity effect on the electronic properties of heavy fermionCeCoIn5using a combined approach of density functional theory (DFT) and dynamical mean-field theory (DMFT). The inhomogeneity of the hybridization…

We performed density functional theory (DFT)+$U$ and dynamical mean field theory (DMFT) calculations with continuous time quantum Monte Carlo impurity solver to investigate the electronic properties of V$_2$O$_5$ and Li$_x$V$_2$O$_5$ ($x$ =…

Ag$_5$Pb$_2$O$_6$ has attracted considerable attention due to its novel nearly-free-electron superconductivity, but its electronic structure and orbital character of the Cooper-pair electrons remain controversial. Here, we present a method…

We present results of the first investigations on the correlated nature of electronic states that cross the Fermi level in Pb$_9$Cu(PO$_4$)$_6$O aka LK-99 obtained within the DFT + DMFT approach. Coulomb correlations between Cu-$d$…

La$_{1.67}$Sr$_{0.33}$CuO$_4$ is not a superconductor and its resistivity follows a purely T$^2$ temperature dependence at very low temperatures. La$_{1.71}$Sr$_{0.29}$CuO$_4$, on the other hand, has a superconducting ground state together…

Spin susceptibility of stabilized \delta phase in the Pu-Ga alloy is studied by measuring {69,71}^Ga NMR spectra and nuclear spin-lattice relaxation rate {69}T_{1}^{-1} in the temperature range 5 - 350 K. The shift ({69}^K) of the…

We present improvements of a recently introduced numerical method [Arrigoni etal, Phys. Rev. Lett. 110, 086403 (2013)] to compute steady state properties of strongly correlated electronic systems out of equilibrium. The method can be…

The thermal conductivity kappa of the heavy-fermion metal CeCoIn5 was measured in the normal and superconducting states as a function of temperature T and magnetic field H, for a current and field parallel to the [100] direction. Inside the…