相关论文: Apical oxygens and correlation strength in electro…
High temperature superconductivity has been found in many kinds of compounds built from planes of Cu and O, separated by spacer layers. Understanding why critical temperatures are so high has been the subject of numerous investigations and…
High temperature superconductivity was achieved by introducing holes in a parent compound consisting of copper oxide layers separated by spacer layers. It is possible to dope some of the parent compounds with electrons, and their physical…
Scanning tunneling microscopy measurements exploiting the natural superstructure modulation of the cuprate superconductor Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ (Bi-2212) have revealed a possible correlation between the Cu-apical-O distance…
Many important questions for high-$T_c$ cuprates are closely related to the insulating nature of parent compounds. While there has been intensive discussion on this issue, all arguments rely strongly on, or are closely related to, the…
We use the Local Density Approximation in combination with the Dynamical Mean Field Theory to investigate intermediate energy properties of the copper oxides. We identify coherent and incoherent spectral features that results from doping a…
The abstract of Phys. Rev. Lett. 121, 157001 (2018) claims to "demonstrate, using ab initio computations, a new trend suggesting that the cuprates with stronger out-of-CuO$_{2}$-plane chemical bonding between the apical anion (O, Cl) and…
Accurate high-energy electron diffraction measurements of structure factors of NiO have been carried out to investigate how strong correlations in the Ni 3d shell affect electron charge density in the interior area of nickel ions and…
The three-band model relevant to high temperature copper-oxide superconductors is solved using single-site dynamical mean field theory and a tight-binding parametrization of the copper and oxygen bands. For a band filling of one hole per…
In high Tc superconductors the magnetic and electronic properties are determined by the probability that valence electrons virtually jump from site to site in the CuO2 planes, a mechanism opposed by on-site Coulomb repulsion and favored by…
The cuprate material BSCCO-2212 is believed to be doped by a combination of cation switching and excess oxygen. The interstitial oxygen dopants are of particular interest because scanning tunnelling microscopy (STM) experiments have shown…
We have investigated the 3d orbital excitations in CaCuO2 (CCO), Nd2CuO4 (NCO), and La2CuO4 (LCO) using high-resolution resonant inelastic x-ray scattering. In LCO they behave as well-localized excitations, similarly to several other…
Undoped iron superconductors accommodate $n=6$ electrons in five d-orbitals. Experimental and theoretical evidence shows that the strength of correlations increases with hole-doping, as the electronic filling approaches half-filling with…
Band structure calculations are presented for large supercells of Ba$_2$CuO$_4$ (BCO) with O-vacancies in planar or apic al positions, and of superoxygenated La$_2$CuO$_4$ (LCO) with oxygen interstitials in the La$_2$O$_2$ layers. It is…
Microscopic theory of a high Tc cuprate BiSCO based on main pairing channel of electrons in CuO planes due to 40meV lateral vibrations of the apical oxygen atoms in adjacent the SrO ionic insulator layer is proposed. The separation between…
The electronic properties of single- and multi-cation transparent conducting oxides (TCOs) are investigated using first-principles density functional approach. A detailed comparison of the electronic band structure of stoichiometric and…
Hole concentration in the CuO2 plane largely controls all the properties in the normal and superconducting states of high-Tc cuprates. The critical current density, Jc, is no exception. Previous hole content dependent studies have…
Dopant impurity potentials determined by ab-initio supercell DFT calculations are used to calculate the optical conductivity of overdoped LSCO and Tl-2201 in the superconducting and normal states. Vertex corrections are included, to account…
Nickel oxide is a versatile p-type semiconducting oxide with many applications in opto-electronic devices, but high doping concentrations are often required to achieve necessary electrical conductivity. In contrast to many other transparent…
We investigate the effect of oxygen-oxygen hopping on the three-band copper-oxide model relevant to high-$T_c$ cuprates, finding that the physics is changed only slightly as the oxygen-oxygen hopping is varied. The location of the…
We investigate the nature of the electronic ground state and electron-lattice couplings for doped chains of CuO_4 plaquettes or CuO_6 octahedra. The undoped configuration implies here Cu 3d^9 and O 2p^6 formal valence states. The results of…