Related papers: Multiplets Matter: The Electronic Structure of Rar…
The electronic structure of $\beta$-Ti$_{6}$Sn$_{5}$ has been studied based on the density functional theory within the local-density approximation. The calculation indicates that $\beta$-Ti$_{6}$Sn$_{5}$ is very close to ferromagnetic…
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…
FeSe is a fascinating superconducting material at the frontier of research in condensed matter physics. Here we provide an overview on the current understanding of the electronic structure of FeSe, focusing in particular on its low energy…
We present a theory of the magnetic rare-earth nickel boride-carbides (RENi$_2$B$_2$C, RE=Ho, Er, Tm). Large total angular momentum allows one to employ semiclassical approximation and reduce the problem to the four-positional clock model.…
Electronic correlations were long suggested not only to be responsible for the complexity of many novel materials, but also to form essential prerequisites for their intriguing properties. Electronic behavior of iron-based superconductors…
Obtaining the electronic structure of the newly discovered iron-based superconductors is the key to understanding the mechanism of their high-temperature superconductivity. We used angle-resolved photoemission spectroscopy (ARPES) to make…
Rare-earth nickelates exhibit a metal-insulator transition accompanied by a structural distortion that breaks the symmetry between formerly equivalent Ni sites. The quantitative theoretical description of this coupled electronic-structural…
We extend density matrix embedding theory to periodic systems, resulting in an electronic band structure method for solid-state materials. The electron correlation can be captured by means of a local impurity model using various choices of…
The possibility of using mixed crystals highly doped with rare earth ions (REIs) as physical systems for creating fast quantum computers with a sampling time of nanoseconds is discussed. The electronic 4f states of rare earth ions with…
We have studied the electronic and magnetic structures of the ternary iron arsenides AFe$_2$As$_2$ (A = Ba, Ca, or Sr) using the first-principles density functional theory. The ground states of these compounds are in a collinear…
An indispensable step toward understanding magnetic interactions in rare-earth magnets is to determine the spatially anisotropic single-ion properties set by crystal electric field (CEF) physics. The CEF Hamiltonian yields a discrete energy…
We review the progress in atomic structure theory with a focus on superheavy elements and the aim to predict their ground state configuration and element's placement in the periodic table. To understand the electronic structure and…
The recent discovery of unconventional surface-state pairs, which give rise to Fermi arcs and spin textures, in antiferromagnetically ordered rare-earth monopnictides attracted the interest in these materials. We use angle-resolved…
Using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) calculations, we systematically studied the electronic band structure of Mn$_3$Ge in the vicinity of the Fermi level. We observe several bands…
We investigate the electronic structure and properties of atoms exposed to a magnetic quadrupole field. The spin-spatial as well as generalized time reversal symmetries are established and shown to lead to a two-fold degeneracy of the…
Rare-earth monopnictides display rich physical behaviors, featuring most notably spin and orbital orders in their ground state. Here, we grow ErBi single crystal and study its magnetic, thermal and electrical properties. An analysis of the…
Hybridization between $f$ electrons and conduction bands ($c$-$f$ hybridization) is a driving force for many unusual phenomena. To provide insight into it, systematic studies of CeCoIn$_5$ heavy fermion superconductor have been performed by…
The structure of the low-energy electronic states in layered cobaltates is considered starting from the Mott insulating limit. We argue that the coherent part of the wave-functions and the Fermi-surface topology at low doping are strongly…
CeRh2As2 is rare among superconductors, in that magnetic field tunes it between two distinct superconducting phases. Combined with a lack of local inversion symmetry and an upper critical field exceeding the Pauli paramagnetic limit, this…
The debate whether uranium 5f electrons are closer to being localized or itinerant in the ferromagnetic compound UGa2 is not yet fully settled. The experimentally determined magnetic moments are large, approximately 3 Bohr magnetons,…