Related papers: Cu-O network dependent core-hole screening in low-…

Bulk crystals of electron-doped cuprates with the T'-type structure require both Ce substitutions and reduction annealing for the emergence of superconductivity while the reduction annealing alone can induce superconductivity in thin films…

We investigated the Cu/Ni-O$_2$ bilayer multi-orbital Hubbard model with Cu/Ni impurity approximation embedded in the O lattice by incorporating the 3d$^{8}$ multiplet structure coupled to a full O-2p band. For this simplified model of…

The temperature dependence of the optical and magnetic properties of CuO were examined by means of hybrid density functional theory calculations. Our work shows that the spin exchange interactions in CuO are neither fully one-dimensional…

The electron-doped infinite-layer superconductor Sr0.9La0.1CuO2 is studied with x-ray photoemission spectroscopy (XPS). A nonaqueous chemical etchant is shown to effectively remove contaminants and to yield surfaces from which signals…

Band structure calculations have been used to identify the different bands contributing to the polarisation-dependent photoemission spectra of the undoped model cuprate Sr$_2$CuO$_2$Cl$_2$ at the high-symmetry points of the CuO$_2$ plane…

We use microprobe Angle-Resolved Photoemission Spectroscopy (muARPES) to separately investigate the electronic properties of CuO2 planes and CuO chains in the high temperature superconductor, YBa2Cu4O8. In the CuO2 planes, a two dimensional…

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…

First-principles calculations with the full-potential linearized augmented plane-wave (FP-LAPW) method have been performed to investigate detailed electronic and linear optical properties of Sr$_{2}$CuO$_{2}$Cl$_{2}$, which is a classical…

Using the strong coupling diagram technique equations are derived for hole Green's functions of the three-band Hubbard model, which describes Cu-O planes of high-$T_c$ cuprates. The equations are self-consistently solved in the…

Using high resolution x-ray absorption spectroscopy and state-of-the-art electronic structure calculations we demonstrate that the pre-edge region at the Cu K-edge of high T$_c$ cuprates is composed of several excitationsinvisible in…

A detailed tight-binding analysis of the electron band structure of the CuO_2 plane of layered cuprates is performed within a sigma-band Hamiltonian including four orbitals - Cu3d_x^2-y^2, Cu4s, O2p_x, and O2p_y. Both the experimental and…

We have used a scanning tunneling microscope to demonstrate that a single CuO_2 plane can form a stable and atomically ordered layer at the surface of Bi_2Sr_2CaCu_2O_{8+delta}. In contrast to previous studies on high-T_c surfaces, the…

In underdoped cuprate superconductors, a rich competition occurs between superconductivity and charge density wave (CDW) order. Whether rotational symmetry breaking (nematicity) occurs intrinsically and generically or as a consequence of…

We investigate the electron-energy loss spectrum of one-dimensional undoped CuO$_{3}$ chains within an extended multi-band Hubbard model and an extended one-band Hubbard model, using the standard Lanczos algorithm. Short-range intersite…

We use angle-resolved photoemission to unravel the quasiparticle decoherence process in the high-$T_c$ cuprates. The coherent band is highly renormalized, and the incoherent part manifests itself as a nearly vertical ``dive'' in the $E$-$k$…

We present calculations for resonant inelastic x-ray scattering (RIXS) in edge-shared copper oxide systems, such as CuGeO$_{3}$ and Li$_{2}$CuO$_{2}$, appropriate for hard x-ray scattering where the photoexcited electron lies above oxygen…

Starting with a minimal model for the CuO$_2$ planes with the on-site Hilbert space reduced to only three effective valence centers [CuO$_4$]$^{7-,6-,5-}$ (nominally Cu$^{1+,2+,3+}$) with different conventional spin and different orbital…

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 use the constrained random phase approximation (cRPA) method to calculate the Hubbard $U$ parameter in four one-dimensional magnetic transition metal atom oxides of composition XO$_2$ (X = Mn, Fe, Co, Ni) on Ir(100). In addition to the…

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…