Related papers: Molecular orbital excitations in cuprates
We expand the concept of frustration in Mott insulators and quantum spin liquids to metals with flat bands. We show that when inter-orbital hopping $t_2$ dominates over intra-orbital hopping $t_1$, in a multiband system with strong…
The rates of a hindered molecular rotation induced by tunneling electrons are evaluated using scattering theory within the sudden approximation. Our approach explains the excitation of copper phthalocyanine molecules (CuPc) on Cu(111) as…
Charge-transfer excitations are of paramount importance for understanding the electronic structure of copper-oxide based high-temperature superconductors. In this study, we investigate the response of a Bi$_2$Sr$_2$CaCu$_2$O$_{\mathrm{8}+…
We review our recent x-ray scattering studies of charge and orbital order in doped manganites, with specific emphasis on the role of orbital correlations in Pr_1-xCa_xMnO_3. For x=0.25, we find an orbital structure indistinguishable from…
The spin dynamics of high temperature superconductors measured by inelastic neutron scattering is reviewed. The spin susceptibility evolves a lot with increasing doping from the undoped insulating state to the overdoped metallic state. In…
We report a resonant inelastic x-ray scattering study of charge excitations in the quasi-one-dimensional Mott insulator SrCuO2. We observe a continuum of low-energy excitations, in which a highly dispersive feature with a large sinusoidal…
The observation of an unusual spin resonant excitation in the superconducting state of various High-Tc ~copper oxides by inelastic neutron scattering measurements is reviewed. This magnetic mode % (that does not exist in conventional…
The low-energy quasiparticle excitations in hole- and electron-type cuprate superconductors are investigated via both experimental and theoretical means. It is found that the doping and momentum dependence of the empirical low-energy…
Spin-orbit coupling introduces chirality into electronic structure. This can have profound effects on the magnetization induced by orbital motion of electrons. Here we derive a formula for the orbital magnetization of interacting electrons…
The accurate calculation of the (differential) correlation energy is central to the quantum chemical description of bond-formation and bond-dissociation processes. In order to estimate the quality of single- and multi-reference approaches…
Dynamic Hubbard models are extensions of the conventional Hubbard model that take into account the fact that atomic orbitals expand upon double occupancy. It is shown here that systems described by dynamic Hubbard models have a tendency to…
We performed a resonant inelastic X-ray scattering (RIXS) study of La$_{2-x}$Sr$_{x}$NiO$_{4+{\delta}}$ (LSNO) at the oxygen $K$ edge to investigate the nature of the doped holes with regard to charge excitations. Charge excitations of the…
We examine the thermodynamic properties of the hole- and electron-doped cuprates by using the t-t'-t''-J model. We find that the chemical potential shows different doping dependence between the hole and electron dopings. Recent experimental…
Spin subsystem of the copper oxides within the polar Jahn-Teller centers model corresponds to a singlet-triplet magnet where the local boson movement accompanied by the induced longitudinal spin fluctuations. These fluctuations determine…
The crossover from localized- to itinerant-electron behavior is associated with many intriguing phenomena in condensed-matter physics. In this paper, we investigate the crossover from localized to itinerant regimes in the spinel system…
Identification of the electronic state that appears upon doping a Mott insulator is important to understand the physics of cuprate high-temperature superconductors. Recent scanning tunneling microscopy of cuprates provides evidence that a…
We present a way of partly reincorporate the effects of the localized bonding electrons on the dynamics of their itinerant counterparts in Hubbard-like Hamiltonians. This is done by relaxing the constraint that the former should be entirely…
The tight-binding model is closely associated with the modified layer-based random-phase approximation to thoroughly investigate the electron-electron interactions in sliding bilayer graphene. The Coulomb interactions and intralayer and…
We report on orbital-dependent quasiparticle dynamics in EuFe$_2$As$_2$, a parent compound of Fe-based superconductors and a novel way to experimentally identify this behavior, using time- and angle-resolved photoelectron spectroscopy…
We use inelastic neutron scattering (INS) to investigate the effect of electron correlations on spin dynamics in the iron-based superconductor Ba$_{0.75}$K$_{0.25}$Fe$_{2}$As$_{2}$. Our INS data show a spin-wave-like dispersive feature,…