Related papers: Electronic excitations in the Shastry-Sutherland c…

We apply a stochastic resolution of identity approximation (sRI) to the CC2 method for excitation energy calculations. A set of stochastic orbitals are employed to decouple the crucial 4-index electron repulsion integrals and optimize the…

Spin excitations of layered copper oxide show various characteristic features, depending on the carrier concentration. In this study, we conducted inelastic neutron scattering (INS) measurements on La$_{2-x}$Sr$_{x}$CuO$_4$ (LSCO), with $x$…

Low-energy electron impact excitations of N$_2$ molecules are studied using the fixed-bond R-matrix method based on state-averaged complete active space SCF orbitals. Thirteen target electronic states of N$_2$ are included in the model…

The electronic structures of supercells of CeO$_{2-\delta}$ have been calculated within the Density Functional Theory (DFT). The equilibrium properties such as lattice constants, bulk moduli and magnetic moments are well reproduced by the…

The electronic structure of CoO is studied by resonant inelastic soft X-ray scattering spectroscopy using photon energies across the Co 2p absorption edges. The different spectral contributions from the energy-loss structures are identified…

We report the high resolution resonant inelastic EUV scattering study of quantum Heisenberg antiferromagnet KCoF3. By tuning the EUV photon energy to cobalt M23 edge, a complete set of low energy 3d spin-orbital excitations is revealed.…

Cuprous oxide (Cu$_2$O) is a semiconductor with large exciton binding energy and significant technological importance in applications such as photovoltaics and solar water splitting. It is also a superior material system for quantum optics…

Despite its apparently simple nature with four valence electrons, the strontium dimer constitutes a challenge for modern electronic structure theory. Here we focus on excited electronic states of Sr$_2$, which we investigate theoretically…

Inspired by recent experimental measurements [Guo \textit{et al.}, Phys. Rev. Lett.~\textbf{124}, 206602 (2020); Jim\'enez \textit{et al.}, Nature \textbf{592}, 370 (2021)] on frustrated quantum magnet SrCu$_2$(BO$_3$)$_2$ under combined…

We present results from light scattering experiments on three insulating antiferromagnetic cuprates, YBa$_2$Cu$_3$O$_{6.05}$, Bi$_2$Sr$_2$YCu$_2$O$_{8+\delta}$, and La$_2$CuO$_4$ as a function of polarization and excitation energy {using…

We study the magnetic excitation spectra of L-edge resonant inelastic x-ray scattering (RIXS) from the spin singlet ground state in one-dimensional undoped cuprates. Analyzing the transition amplitudes of the magnetic excitations in the…

We investigated the characteristics of the spin fluctuations mediated superconductivity employing the Eliashberg formalism. The effective interaction between electrons was modeled in terms of the spin susceptibility measured by the…

Magnetization plateaus in the Shastry-Sutherland model for ${\rm SrCu_2(BO_3)_2}$ are studied by the perturbation expansion method. The fourth-order effective Hamiltonian which describes the dynamics of triplet dimers (TD's) with $S^{\rm…

Sr$_{2}$IrO$_{4}$ has often been described via a simple, one-band pseudo-spin 1/2 model, subject to electron-electron interactions, on a square lattice, fostering analogies with cuprate superconductors, believed to be well described by a…

We have measured the intricate temperature dependence of the Co L2,3 x-ray absorption spectra (2p-3d excitations) of CoO. To allow for accurate total electron yield measurements, the material has been grown in thin film form on a metallic…

We derive the shape of the high-energy features due to a weakly coupled boson in cuprate superconductors, as seen experimentally in Bi_2 Sr_2 Ca_1 Cu_2 O_8+x (BSCCO) by Lee et al. [Nature (London) 442, 546 (2006)]. A simplified model is…

Super-high resolution laser-based angle-resolved photoemission measurements have been carried out on Bi2Sr2CaCu2O8+d (Bi2212) superconductors to investigate momentum dependence of electron coupling with collective excitations (modes). Two…

We present comprehensive electron spin resonance (ESR) studies of in-plane oriented single crystals of $\alpha$-RuCl$_3$, a quasi-two-dimensional material with honeycomb structure, focusing on its high-field spin dynamics. The measurements…

In frustrated magnets, a variety of novel phenomena arise due to their peculiar magnetic states, whose excitations usually reside in the GHz to THz range. Intense THz lasers, therefore, lead to examining nonlinear optical effects in such…

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…