Related papers: Dynamical screening in La2CuO4
We present a general method for determining screened Coulomb parameters in molecular assemblies, in particular organic molecular crystals. This allows us to calculate the interaction parameters used in a generalized Hubbard model…
The effect of the electron-electron cusp on the convergence of configuration interaction (CI) wave functions is examined. By analogy with the pseudopotential approach for electron-ion interactions, an effective electron-electron interaction…
Cuprate high-Tc superconductors are known to have several relationships between Tc and features of electronic structure. In the firstly found one, Tc is correlated with the Madelung potential difference between planar Cu and O sites.…
In the 35 years since the discovery of cuprate superconductors, we have not yet reached a unified understanding of their properties, including their material dependence of the superconducting transition temperature $T_{\text{c}}$. The…
As correlation strength has a key influence on the simulation of strongly correlated materials, many approaches have been proposed to obtain the parameter using first-principles calculations. However, the comparison of the different Coulomb…
We show that doping-induced charge fluctuations in strongly correlated Hubbard electron systems near the 1/2-filled, insulating limit cause overscreening of the electron-electron Coulomb repulsion. The resulting attractive screened…
A quantitative description of Coulomb interactions is developed for two-dimensional superconducting materials, enabling us to compare intrinsic with external screening effects, such as those due to substrates. Using the example of a doped…
While ballistic electrons are a key tool for applications in sensing and flying qubits, sub-nanosecond propagation times and complicated interactions make control of ballistic single electrons challenging. Recent experiments have revealed…
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…
With the shrinking of dimensionality, Coulomb interactions play a distinct role in two-dimensional (2D) semiconductors owing to the reduced dielectric screening in the out-of-plane direction. Apart from dielectric screening, free charge…
We propose a systematic procedure for constructing effective models of strongly correlated materials. The parameters, in particular the on-site screened Coulomb interaction U, are calculated from first principles, using the GW…
We performed high-field magnetotransport experiments up to 50 T on strained La1.85Sr0.15CuO4 films. Two films with different strain, one expansively strained with Tc ~ 26 K and the other compressively strained with Tc ~ 44 K, show a…
We study the influence of electron-electron interactions on the electronic properties of disordered materials. In particular, we consider the insulating side of a metal-insulator transition where screening breaks down and the…
By combining fermion Quantum Monte Carlo (QMC) simulations with diagrammatic theory, we have calculated the dielectric screening and the screened potential, in a quasi 2D Hubbard model for cuprate superconductors with and without 1/r…
The electronic structure of Nickel dichalcogenides, NiS$_2$ and NiSe$_2$, in monolayer form, is studied employing first-principles methods. We assess the importance of band ordering, covalency and Coulomb interactions in the ground state of…
The use of a nearby metallic ground-plane to limit the range of the Coulomb interactions between carriers is a useful approach in studying the physics of two-dimensional (2D) systems. This approach has been used to study Wigner…
We report a first-principles projector augmented wave (PAW) study on Na$_{0.5}$CoO$_2$. With the sodium ion ordered insulating phase being identified in experiments, pure density functional calculations fail to predict an insulating ground…
Evidence for strong electron-phonon coupling in high-Tc cuprates is reviewed, with emphasis on the electron and phonon spectral functions. Effects due to the interplay between the Coulomb and electron-phonon interactions are studied. For…
Recently, above-room temperature superconductivity was reported in the Cu doped lead apatite Pb$_{10-x}$Cu$_x$(PO4)$_6$O, dubbed LK-99. By relaxing the structure with Cu substitution, we derive a four-band low-energy model with two 3/4…
Optical measurements of the real and imaginary frequency dependent conductivity of uncompensated n-type silicon are reported. The experiments are done in the quantum limit, $ \hbar\omega > k_{B}T$, across a broad doping range on the…