Related papers: Hole-depletion of ladders in Sr$_{14}$Cu$_{24}$O$_…
Soft-x-ray photoemission and absorption spectroscopies are employed to investigate the electronic structures of Sr_{1-x}Rh_{2}O_{4}. Similarly to the layered cobaltates such as Na_{1-x}CoO_{2}, a valence-band satellite feature (VBS) occurs…
Absorption spectra of closed-shell Na_2, Na_3+, Na_4, Na_5+, Na_6, Na_7+, and Na_8 clusters are calculated using a recently implemented conserving linear response method. In the framework of a quasiparticle approach, we determine…
We propose that the superconductivity recently observed in Nd$_{0.8}$Sr$_{0.2}$NiO$_2$ with critical temperature in the range $9$ K to $15$ K results from the same charge carriers and the same mechanism that we have proposed give rise to…
Hole doping into a correlated antiferromagnet leads to topological stripe correlations, involving charge stripes that separate antiferromagnetic spin stripes of opposite phase. Topological spin stripe order causes the spin degrees of…
Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional…
Motivated by recent experimental progress on iron-based ladder compounds, we study the doped two-orbital Hubbard model for the two-leg ladder BaFe$_2$S$_3$. The model is constructed by using {\it ab initio} hopping parameters and the ground…
Here I present a new model for the itinerancy of the strings of holes in the Cuprates HTSC. The model assumes various scenarios with respect to the order of the holes hopping and evaluates the weighting parameters for the different…
We present a detailed study of the exchange-correlation hole and exchange-correlation energy per particle in the Si crystal as calculated by the Variational Monte Carlo method and predicted by various density functional models. Nonlocal…
We study the magnetism of the hole doped CuO2 spin chains in Sr14Cu24O41 by measuring the Electron Spin Resonance (ESR) and the static magnetization M in applied magnetic fields up to 14 T. In this compound, the dimerized ground state and…
In recent years, the study of ladder materials has developed into a well-established area of research within the general context of Strongly Correlated Electrons. This effort has been triggered by an unusual cross-fertilization between…
An unresolved issue concerning cuprate superconductors is whether the distribution of carriers in the CuO(2) plane is uniform or inhomogeneous. Because the carriers comprise a small fraction of the total charge density and may be rapidly…
Holes doped within the square CuO2 network specific to the cuprate superconducting materials have oxygen 2p character. We investigate the basic properties of such oxygen holes by wavefunction-based quantum chemical calculations on large…
We report hole-doping dependence of the in-plane resistivity \rho_{ab} in a cuprate superconductor La_{2-x}Sr_{x}CuO_{4}, carefully examined using a series of high-quality single crystals. Our detailed measurements find a tendency towards…
We study the one-band Hubbard model on the trellis lattice, a two-dimensional frustrated lattice of coupled two-leg ladders, with hopping amplitude $t$ within ladders and $t'$ between ladders. For large $U/t$ this is a model for the cuprate…
We perform first principles, multiconfiguration calculations on clusters including several CuO$_6$ octahedra and study the ground-state electron distribution and electron--lattice couplings when holes are added to the undoped $d^9 p^6$…
Charge current static and dynamical correlations are computed by exact diagonalisation methods on a 2-leg t-t'-J ladder which exhibits a sharp transition between a Luther-Emery (LE) phase of hole pairs and a phase with deconfined holes. In…
We study the electronic structure of the ladder compounds (SrCa)CuO 14-24-41 and SrCuO 123. LDA calculations for both give similar Cu 3d-bands near the Fermi energy. The hopping parameters estimated by fitting LDA energy bands show a strong…
Linked cluster expansions provide a useful tool for both analytical and numerical investigations of lattice field theories. The expansion parameter(s) being the interaction strength(s) fields at neighboured lattice sites are coupled, they…
The flurry of theoretical and experimental studies following the report of room-temperature superconductivity at ambient pressure in Cu-substituted lead apatite Cu$_x$Pb$_{10-x}$(PO$_4$)$_6$O (`LK99') have explored whether and how this…
We studied the magnetic excitations in the quasi-one-dimensional (q-1D) ladder subsystem of Sr_(14-x) Ca_x Cu_24 O_41(SCCO) using Cu L_3-edge resonant inelastic X-ray scattering (RIXS). By comparing momentum-resolved RIXS spectra with…