Related papers: Quasiparticle multiplets and 5f electronic correla…
While in strongly correlated materials one often focuses on local electronic correlations, the influence of non-local exchange and correlation effects beyond band-theory can be pertinent in systems with more extended orbitals. Thus in many…
In this work we present a comprehensive analysis of collective electronic fluctuations and their effect on single-particle properties of the Hubbard model. Our approach is based on a standard dual fermion/boson scheme with the interaction…
This study deals with cubic crystals where the contents of the simple cubic unit cells are close to n$\times$n$\times$n-bcc sublattices ($n$ = 2: diamond- and zinc-blende type, $n$ = 3: $\gamma$-brasses). First-principle results on the…
The electronic structures of the ferromagnetic superconductors $\mathrm{UGe}_2$ and $\mathrm{UCoGe}$ in the paramagnetic phase were studied by angle-resolved photoelectron spectroscopy using soft X-rays ($h\nu =400-500$). The quasi-particle…
SmB6 exhibits intermediate valence in the ground state and unusual behaviour at low temperatures. The resistivity and the Hall effect cannot be explained either by conventional sf-hybridization or by hopping transport in an impurity band.…
Recent experimental observations of magnetization plateau in metallic tetraboride $\textrm{TmB}_{4}$ have created a lot of interest in these class of materials. Hysteretic longitudinal resistance and anomalous Hall Effect are other…
Understanding interactions between excitons and correlated electronic states presents a fundamental challenge in quantum many-body physics. Here, we introduce a purely electronic model for the formation of exciton-polarons in moir\'e…
We investigate the stability of few-electron quantum phases in vertically coupled quantum dots under a magnetic field of arbitrary strength and direction. The orbital and spin stability diagrams of realistic devices containing up to five…
We investigate the electronic structure of the strongly anisotropic, quasi low dimensional purple bronze Li0.9Mo6O17. Building on all-electron ab-initio band structure calculations we obtain an effective model in terms of four maximally…
Rare-earth intermetallic compounds exhibit rich phenomena induced by the interplay between localized $f$ orbitals and conduction electrons. However, since the energy scale of the crystal-electric-field splitting is only a few…
Strongly correlated materials are characterized by the presence of electron-electron interactions in their electronic structure. They often have remarkable properties and transitions between competing phases of very different electronic and…
We demonstrate that a theoretical framework fully incorporating intra-atomic correlations and multiplet structure of the localized 4f states is required in order to capture the essential physics of rare-earth semiconductors and semimetals.…
The electronic and emission properties of correlated multi-particle states are studied theoretically using ${\bf k}\cdot{\bf p}$ and the configuration interaction methods on a well-known and measured GaAs/AlGaAs quantum dots as a test…
We probe the local quasiparticles density-of-states in micron-sized SmFeAsO$_{1-x}$F$_{x}$ single-crystals by means of Scanning Tunnelling Spectroscopy. Spectral features resemble those of cuprates, particularly a dip-hump-like structure…
Moir\'e lattices are a general feature of bilayer structures, where an additional periodic superstructure is generated by either lattice mismatch or from a twist angle. They have been shown to stabilise new ground states, including…
Density functional theory has been applied to investigate the electronic structure and lattice stability of molybdenene monolayer in both its hexagonal and triclinic phases, within ultrasoft pseudopotential approach. In agreement with…
The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing the augmented plane wave plus local orbital (APW+lo) method. We investigated the…
In this study, we investigate the formation of electron and hole small polarons in the prototypical ferroelectric material BaTiO3, with a focus on their interaction with ferroelectric distortive fields. To accurately describe the…
We focus our quantitative analysis on the stability of the insulator state in the Hubbard model at a half-filling. Taking into account large-scale fluctuations (with a long relaxation time) of the on-site Coulomb repulsion, we consider the…
Full-potential linearized augmented plane-wave method with the generalized gradient approximation for the exchange-correlation potential was applied for comparative study of elastic and electronic properties of six cubic thorium pnictides…