Related papers: Visualization of spin-orbit entangled 4f electrons…
Lanthanides in the trivalent oxidation state are typically described using an ionic picture that leads to localized magnetic moments. The hierarchical energy scales associated with trivalent lanthanides produce desirable properties for…
We show that the strongly correlated 4f-orbital symmetry of the ground state is revealed by linear dichroism in core-level photoemission spectra as we have discovered for YbRh2Si2 and YbCu2Si2. Theoretical analysis tells us that the linear…
Electron elastic scattering off a spin-polarized Cr(...$3d^{5}4s^{1}$, $^{7}S$) atom is theoretically studied in the region of electron energies up to $15$ eV using both a one-electron "spin-polarized" Hartree-Fock and multielectron…
Possible Kondo effect in Pr skutterudite is studied with attention to characteristic features of low-lying crystalline electric field (CEF) levels and the conduction band. A mechanism for the small CEF splitting between a singlet and a…
We report on results from high-energy spectroscopic measurements on CeFe2, a system of particular interest due to its anomalous ferromagnetism with an unusually low Curie temperature and small magnetization compared to the other rare…
We explore photo-electron spectra (PES) and photo-electron angular distributions (PAD) of C$_{60}$ with time-dependent density functional theory (TDDFT) in real time. To simulate experiments in gas phase, we consider isotropic ensembles of…
Soft x-ray linear and circular dichroism (XLD, XMCD) experiments at the Ce M$_{4,5}$ edges are being used to determine the energy scales characterizing the Ce $4f$ degrees of freedom in the ultrathin ordered surface intermetallic…
Geometrical frustration of the Fe ions in LuFe2O4 leads to intricate charge and magnetic order and a strong magnetoelectric coupling. Using resonant x-ray diffraction at the Fe K edge, the anomalous scattering factors of both Fe sites are…
Understanding the mechanism and symmetry of electron pairing in iron-based superconductors represents an important challenge in condensed matter physics [1-3]. The observation of magnetic flux lines - "vortices" - in a superconductor can…
A pivotal challenge in quantum technologies lies in reconciling long coherence times with efficient manipulation of the quantum states of a system. Lanthanide atoms, with their well-localized 4f electrons, emerge as a promising solution to…
The single-layered perovskite Ca$_2$RuO$_4$, characterized by a 4$d^4$ electron configuration, has been studied from first principles using density functional theory (DFT) using the generalized gradient approximation, with inclusion of…
We investigate the electronic structure of Cs$_2$CuCl$_4$, a material discussed in the framework of a frustrated quantum antiferromagnet, by means of resonant inelastic x-ray scattering (RIXS) and Density Functional Theory (DFT). From the…
The theoretically observable limit of electron density distribution by single-crystal X-ray diffraction is discussed. When F_{orb} and {\delta}F are defined as, respectively, the partial structure factor for an orbital and the deviation of…
Single-ion lanthanide-organic complexes can provide stable magnetic moments with well-defined orientation for spintronic applications on the atomic level. Here, we show by a combined experimental approach of scanning tunneling microscopy…
We revisit the formulations and simulations of angular distributions in polarization-dependent core-level photoemission spectra of strongly correlated electron systems, in order to explain the recently discovered linear dichroism (LD) in…
A change of orbital state alters the coupling between ions and their surroundings drastically. Orbital excitations are hence key to understand and control interaction of ions. Rare-earth (RE) elements with strong magneto-crystalline…
Here, using density functional theory and density matrix renormalization group methods, we investigate the electronic and magnetic properties of RuOCl$_2$ and OsOCl$_2$ with $d^4$ electronic configurations. Different from a previous study…
The angular dependence (x-ray linear dichroism) of the Cr K pre-edge in MgAl2O4:Cr3+ spinel is measured by means of x-ray absorption near edge structure spectroscopy (XANES) and compared to calculations based on density functional theory…
Direct experimental access to orbital states in strongly correlated materials remains a major challenge, despite their central role in driving coupled structural and magnetic phase transitions. In systems where electronic correlations,…
We present visible spectra of Ag-like ($4d^{10}4f$) and Cd-like ($4d^{10}4f^2$) ions of Ho (atomic number $Z=67$), Er (68), and Tm (69) observed with a compact electron beam ion trap. For Ag-like ions, prominent emission corresponding to…