Related papers: Evaluating covalency using RIXS spectral weights: …
The unprecedented brilliance of X-ray free-electron lasers (XFELs) [1, 2] has enabled first studies of nonlinear interactions in the hard X-ray range. In particular, X-ray-optical mixing [3], X-ray second harmonic generation (XSHG) [4] and…
Rare-earth oxides (REOs) are an important class of materials owing to their unique properties, including high ionic conductivities, large dielectric constants, and elevated melting temperatures, making them relevant to several technological…
Hybrid organic-inorganic nanomaterials can exhibit transitional behavior that deviates from models developed for all-organic or all-inorganic materials systems. Here, we reveal the complexity of exciton-phonon interactions in a recently…
The progress in high performance computing we are witnessing today offers the possibility of accurate electron density calculations of systems in realistic physico-chemical conditions. In this paper, we present a strategy aimed at…
Superconductivity appears to compete against the spin-density-wave in Fe pnictides. However, optimally cobalt doped samples show a quasi-two-dimensional spin excitation centered at the (0.5, 0.5, L) wavevector, "the spin resonance peak",…
We report a comprehensive study of magnetotransport properties, angle-resolved photoemission spectroscopy (ARPES), and density functional theory (DFT) calculations on self-flux grown LaAuSb$_2$ single crystals. Resistivity and Hall…
Results of model calculations using exact diagonalization reveal the orbital character of states associated with different Raman loss peaks in Cu $K$-edge resonant inelastic X-ray scattering (RIXS) from La$_{2}$CuO$_{4}$. The model includes…
The spin fluctuation spectra from nonsuperconducting Cu-substituted, and superconducting Co-substituted, BaFe2As2 are compared quantitatively by inelastic neutron scattering measurements and are found to be indis- tinguishable. Whereas…
We present a combined oxygen $K$-edge x-ray absorption spectroscopy (XAS) and resonant inelastic x-ray scattering (RIXS) study of the bilayer ruthenate Ca$_3$Ru$_2$O$_7$. Our RIXS experiments on Ca$_3$Ru$_2$O$_7$ were carried out on the…
Motivated by the recent synthesis of Ba$_2$CuO$_{3+\delta}$ (BCO), a high temperature superconducting cuprate with putative $d_{3z^2-r^2}$ ground state symmetry, we investigated its electronic structure by means of Cu $L_3$ x-ray absorption…
We study oxygen K-edge x-ray absorption spectroscopy (XAS) and investigate the validity of the Zhang-Rice singlet (ZRS) picture in overdoped cuprate superconductors. Using large-scale exact diagonalization of the three-orbital Hubbard…
We report 75As-nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements on transition-metal arsenides LaRu2As2, KCa2Fe4As4F2, and A2Cr3As3. In the superconducting state of LaRu2As2, a Hebel- Slichter coherence…
We have investigated the electronic structure of Sr2IrO4 within the density-functional theory using the generalized gradient approximation while taking into account strong Coulomb correlations in the framework of the fully relativistic…
The interplay of nearly degenerate orders in quantum materials can lead to a myriad of emergent phases. A prominent case is that of the high-Tc cuprates for which the relationship between superconductivity and a short-ranged, incommensurate…
We report on the most complete investigation to date of the 4f-electron properties at the gamma-alpha transition in elemental Ce by resonant inelastic x-ray scattering (RIXS). The Ce 2p3d-RIXS spectra were measured directly in the bulk…
We assess the capabilities of magnetic Resonant Inelastic X-ray Scattering (RIXS) at the O $K$ edge in undoped cuprates by taking La_{2}CuO_{4} as a benchmark case, based on a series of RIXS measurements that we present here. By combining…
We present an ab initio study of neutral core and valence electronic excitations in {\alpha}-Al2O3 by solving the Bethe-Salpeter equation (BSE) of many-body perturbation theory within an all-electron framework. Calculated spectra at the Al…
Using resistivity, heat-capacity, thermal-expansion, and susceptibility measurements we study the normal-state behavior of KFe2As2. We find that both the Sommerfeld coefficient gamma = 103 mJ mol-1 K-2 and the Pauli susceptibility chi =…
We develop a technique based on density functional theory and the projector augmented wave method in order to obtain the x-ray absorption cross section at a general edge, both in the electric dipole and quadrupole approximations. The method…
We present a novel derivation of resonant inelastic x-ray scattering (RIXS) which yields an expression for the RIXS cross section in terms of emission pathways between intermediate and final many-body states. Thereby electron-hole…