Related papers: On the Spatial Locality of Electronic Correlations…
We investigate the cleaving behavior of LiFeAs and determine its surface electronic structure by detailed density functional calculations. We show that due to the neutral surface of LiFeAs after cleaving, barely any influence of the surface…
We investigate the energy loss characteristics of warm dense matter (WDM) and dense plasmas concentrating on the influence of electronic correlations. The basis for our analysis is a recently developed ab initio Quantum Monte-Carlo (QMC)…
The dynamical response of metallic clusters up to $10^3$ atoms is investigated using the restricted molecular dynamics simulations scheme. Exemplarily, sodium like material is considered. Correlation functions are evaluated to investigate…
Recently, intensive studies have revealed fascinating physics, such as charge density wave and superconducting states, in the newly synthesized kagome-lattice materials $A$V$_3$Sb$_5$ ($A$=K, Rb, Cs). Despite the rapid progress, fundamental…
We present calculations of structural and magnetic properties of the iron-pnictide superconductor LaFeAsO including electron-electron correlations. For this purpose we apply a fully charge self-consistent combination of Density-Functional…
One of the most powerful strategies to address properties of real many-body systems is to incorporate data obtained for models, for example, to use data of the homogeneous electron gas in order to build the Local Density Approximation for…
Unconventional superconductivity arises at the border between the strong coupling regime with local magnetic moments and the weak coupling regime with itinerant electrons, and stems from the physics of criticality that dissects the two.…
Using quasiparticle self-consistent $GW$ calculations, we re-examined the electronic structure of Sr$_2$RuO$_4$ and SrRuO$_3$. Our calculations show that the correlation effects beyond the conventional LDA (local density approximation) and…
In conventional BCS superconductors, the quantum condensation of superconducting electron pairs is understood as a Fermi surface (FS) instability, in which the low-energy electrons are paired by attractive interactions. Whether this…
Electronic structures of a superconductor without inversion symmetry, LaPdSi3, and its non-superconducting counterpart, LaPdGe3, have been calculated employing the full-potential local-orbital method within the density functional theory.…
An exactly soluble one-dimensional model of electrons interacting with order parameter fluctations associated with short-range order is considered. The energy and momentum dependence of the electronic self energy and spectral function are…
Iron-based chalcogenides are complex superconducting systems in which orbitally-dependent electronic correlations play an important role. Here, using high-resolution angle-resolved photoemission spectroscopy, we investigate the effect of…
Spatially-resolved techniques of laser scanning microscopy (LSM) have been used to image simultaneously the spatial variations of (i) rf current flow, J$_RF$(x,y), of (ii) areas of resistive dissipation and (iii) the sources of microwave…
We analyze through the expectation value of the energy density the spatial nonlocality of single photons emitted by the spontaneous decay of a Hydrogen atom. By using a minimal coupling between the quantized electromagnetic field and the…
We investigate the electronic and other properties of the hypothetical compound LiFeSb in relation to superconducting LiFeAs and FeSe using density functional calculations. The results show that LiFeSb in the LiFeAs structure would be…
A high-throughput benchmarking technique for testing the performance of different exchange-correlation functionals and pseudopotentials is proposed and applied to bulk SnS. It is shown that, contrary to the popular view that the local…
High-resolution angle- and spin-resolved photoemission spectroscopy (ARPES) of the triple-layered ruthenate Sr$_4$Ru$_3$O$_{10}$ reveals features of the electronic structure that extend our understanding of the layered strontium ruthenates.…
The electronic structures of the iron-based superconductors have been intensively studied by using angleresolved photoemission spectroscopy (ARPES). A considerable amount of research has been focused on the LaFeAsO family, showing the…
We introduce a first principles approach to determine the strength of the electronic correlations based on the fully self consistent GW approximation. The approach provides a seamless interface with dynamical mean field theory, and gives…
In the long wavelength domain, typically for wavelengths lambda > 100 angstroms, the laser fields are usually taken as independent of the spatial coordinate. However, at the gas-solid interface the electron density of the material and the…