Related papers: Hole Binding around Ni Impurity in Cuprates
Using density functional calculations and multi-orbital, multi-atom cluster exact diagonalization that includes local exchange and Coulomb interactions, we explored the local low-energy electronic states of trilayer La$_4$Ni$_3$O$_{10}$ via…
The minimal ingredients to explain the essential physics of layered copper-oxide (cuprates= materials remains heavily debated. Effective low energy single-band models of the copper-oxygen orbitals are widely used because there exists no…
Measurements of thermal conductivity versus temperature over a broad range of doping in YBa$_2$Cu$_3$O$_{6+x}$ and HgBa$_2$Ca$_{n-1}$Cu$_n$O$_{2n+2+\delta}$ ($n$=1,2,3) suggest that small domains of localized holes develop for hole…
Superconductivity with $T_c \approx 15K$ was recently found in doped NdNiO$_2$. The Ni$^{1+}$O$_2$ layers are expected to be Mott insulators so hole doping should produce Ni$^{2+}$ with $S=1$, incompatible with robust superconductivity. We…
In this letter, we propose ternary nickel hydrides MNiH2 (M = Li, Na) as new materials that mimic cuprate physics but have important differences and interesting properties. Ni-H bands are wider than in oxides due to shorter bond lengths and…
Highly-symmetric three-band Hubbard Cu-O clusters have peculiar properties when the hole number is such that they admit W=0 hole pairs. These are two-hole eigenstates of the on-site Hubbard repulsion with eigenvalue 0, get bound by…
Impurity induced low temperature upturns in both the ab-plane and the c-axis dc-resistivities of cuprates in the pseudogap state have been observed in experiments. We provide an explanation of this phenomenon by incorporating impurity…
We characterize the three-orbital Hubbard model using state-of-the-art determinant quantum Monte Carlo (DQMC) simulations with parameters relevant to the cuprate high-temperature superconductors. The simulations find that doped holes…
We report the observation of superstructures associated with the oxygen 2p-states in two prototypical manganites using x-ray diffraction at the oxygen K-edge. We determine the nature of the orderings and discuss our picture with respect to…
The discovery of superconductivity in hole-doped infinite-layer NdNiO$_2$ -- a transition metal (TM) oxide that is both isostructural and isoelectronic to cuprate superconductors -- has lead to renewed enthusiasm in the hope of…
Experimental studies of the pairing state of cuprate superconductors reveal asymmetric behaviors of the hole-doped (p-type) and electron-doped (n-type) cuprates. The pairing symmetry, pseudogap phenomenon, low-energy spin excitations and…
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…
We study oxygen K-edge x-ray absorption spectroscopy (XAS) and investigate the validity of the Zhang-Rice singlet (ZRS) picture in overdoped cuprate superconductors. Using large-scale exact diagonalization of the three-orbital Hubbard…
Recently, a bulk nickelate superconductor $\mathrm{La_3Ni_2O_7}$ is discovered at pressures with a remarkable high transition temperature $T_c \sim 80K$. Here, we study a Hubbard model with tight-binding parameters derived from \textit{ab…
We study the effects of charged impurity scattering on the electronic transport properties of <110>-oriented Si nanowires in a gate-all-around geometry, where the impurity potential is screened by the gate, gate oxide and conduction band…
Research on nickel-based superconductors has progressed from infinite-layer LaNiO$_2$ to finite-layer La$_{6}$Ni$_{5}$O$_{12}$, and most recently to the Ruddlesden-Popper phase La$_3$Ni$_2$O$_7$, which was found to exhibits onset of…
A strong anisotropic distribution of the holes in Ni 3d and O 2p orbitals is observed in the polarization dependent O1s and Ni2p3/2 x-ray absorption spectroscopy of the linear-chain nickelate Y1-xCaxBaNiO5 (x = 0, 0.05, 0.1, 0.2), which…
We perform an exhaustive theoretical study of the phase diagram of Cu-I binaries, focusing on Cu-poor compositions, relevant for p-type transparent conduction. We find that the interaction between neighboring Cu vacancies is the determining…
Effects of the superconducting pair potential on the impurity scattering processes in metallic carbon nanotubes are studied theoretically. The backward scattering of electrons vanishes in the normal state. In the presence of the…
Experiments have shown that the families of cuprate superconductors that have the largest transition temperature at optimal doping also have the largest oxygen hole content at that doping. They have also shown that a large charge-transfer…