相关论文: Screening in YBCO at large wave vectors

To investigate inelastic electron scattering, which is ubiquitous in various fields of study, we carry out ab initio study of the real-time dynamics of a one-dimensional electron wave packet scattered by a hydrogen atom using different…

Resonant inelastic x-ray scattering (RIXS) spectra at the Fe K-edge were measured for a single crystal of the iron oxypnictide superconductor PrFeAsO0.7 (Tc=42 K). They disclose a weak, broad feature centered around 4.5 eV energy loss,…

We study theoretically resonant inelastic x-ray scattering (RIXS) at the Cu $L_3$-edge in a typical parent compound of high-$T_c$ cuprate superconductors La$_2$CuO$_4$ on the basis of a detailed electronic band structure. We construct a…

We formulate a rigorous method for calculating a nonadiabatic (frequency-dependent) exchange-correlation (XC) kernel required for correct description of both equilibrium and nonequilibrium properties of strongly correlated systems within…

A rapid decrease in the critical current density (Jc) of YBa2Cu3O7-x (YBCO) films with increasing film thickness has been observed for multiple YBCO growth processes. While such behavior is predicted from 2D collective pinning models under…

Accurate prediction of radiation damage in YBa$_2$Cu$3$O${7-\delta}$ (YBCO) is essential for assessing the performance of high-temperature superconducting (HTS) tapes in compact fusion reactors. Existing empirical interatomic potentials…

The time-dependent density functional theory (TDDFT) provides a unified description of the structure and reaction. The linear approximation leads to the random-phase approximation (RPA) which is capable of describing a variety of collective…

The electronic structure of high-quality van der Waals multiferroic CuCrP$_2$S6 crystals was investigated applying photoelectron spectroscopy methods in combination with DFT analysis. Using X-ray photoelectron and near-edge X-ray absorption…

LDA+DMFT (Local Density Approximation combined with Dynamical Mean-Field Theory) computation scheme has been used to calculate spectral properties of LaFeAsO -- the parent compound of the new high-T_c iron oxypnictides. The average Coulomb…

A novel approach to intrinsic Josephson-detection of far infrared radiation is reported utilizing near-zone field effects at electric contacts on c-axis oriented YBa_2Cu_3O_7-delta films. While only a bolometric signal was observed focusing…

We demonstrate that combining standing-wave (SW) excitation with resonant inelastic x-ray scattering (RIXS) can lead to depth resolution and interface sensitivity for studying orbital and magnetic excitations in correlated oxide…

We report the effects of epitaxial strain and deoxygenation on high quality [YBa2Cu3O7-x (YBCO)_N / PrBa2Cu3O7 (PBCO)_5] (1000 A thick) superlattices, with 1 <= N <= 12 unit cells. High spatial resolution electron energy loss spectroscopy…

Theoretical studies of photochemical processes require a description of the energy surfaces of excited electronic states, especially near degeneracies, where transitions between states are most likely. Systems relevant to photochemical…

We investigate the description of excitonic effects within time-dependent density-functional theory (TDDFT). The exchange-correlation kernel f_xc introduced in TDDFT allows a clear separation of quasiparticle and excitonic effects. Using a…

Signatures of strong coupling effects in cuprate high-$T_{c}$ superconductors have been authenticated through a variety of spectroscopic probes. However, the microscopic nature of relevant excitations has not been agreed upon. Here we…

It was recently shown [Y. Suzuki, L. Lacombe, K. Watanabe, and N. T. Maitra, Phys. Rev. Lett. 119, 263401 (2017)] that peak and valley structures in the exact exchange-correlation potential of time-dependent density functional theory are…

We investigate resonant inelastic X-ray scattering (RIXS) at the O $K$-edge in insulating cuprates by means of three methods: cluster perturbation theory (CPT), Hartree--Fock approximation (HFA) and exact diagonalization (ED) method. We…

With x-ray absorption spectroscopy and polarized neutron reflectometry we studied how the magnetic proximity effect at the interface between the cuprate high-$T_C$ superconductor $\mathrm{YBa_2Cu_3O_7}$ (YBCO) and the ferromagnet…

We express the cross section for indirect resonant inelastic X-ray scattering in terms of an intrinsic dynamic correlation function of the system that is studied with this technique. The cross section is a linear combination of the charge…

We investigate energetic and electronic properties of TiS2 , an archetypal van der Waals (vdW) material, from first principles, in the framework of the Density Functional Theory (DFT). In this system a recent experimental study showed a…