相关论文: Destabilization of the Zhang-Rice singlet at optim…
Superconductivity found in doped NdNiO$_2$ is puzzling as two local symmetries of doped NiO$_2$ layers compete, with presumably far-reaching implications for the involved mechanism: a cuprate-like regime with Zhang-Rice singlets {\cblue is…
We present the first ab-initio band-theory-based description of spin-compensated polarons (known as Zhang-Rice singlets) in a hole-doped cuprate, specifically one-dimensional Ca_{2+x} Y_{2-x} Cu_5 O_10. Zhang-Rice singlets are many-particle…
In cuprate superconductors doping is believed to create holes on the O-sites, which couple antiferromagnetically with holes on the Cu-sites to form the so-called Zhang-Rice singlets. Here we study a d-wave pairing state based on the…
The parent compound of cuprates is a charge-transfer-type Mott insulator with strong hybridization between the Cu $3d_{\mathrm x^2-y^2}$ and O $2p$ orbitals. A key question concerning the pairing mechanism is the behavior of doped holes in…
Cuprate superconductors remain central to condensed matter physics due to their technological relevance and unconventional, incompletely understood electronic behavior. While the canonical phase diagram and low-energy models have been…
The total spectral weight \textit{S} of the emergent low-energy quasipaticles in high-temperature superconductors is explored by x-ray absorption spectroscopy. In order to examine the applicability of the Hubbard model, regimes that cover…
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…
We investigate the anomalous metal arising by hole doping the Mott insulating state of the periodic Anderson model. Using Dynamical Mean-Field Theory we show that, as opposed to the electron-doped case, in the hole-doped regime the…
Using a combination of local density functional theory and cluster exact diagonalization based dynamical mean field theory, we calculate many body electronic structures of several Mott insulating oxides including undoped high T_{c}…
One of the most important effects of strong electron correlation in high-Tc cuprates is the formation of Zhang-Rice singlets. By fully accounting for the quantum correlation effect of Zhang-Rice singlet formation, we show that a topological…
Cuprate materials, like those hosting high temperature superconductivity, represent a famous class of materials where the correlations between the strongly entangled charges and spins produce complex phase diagrams. Several years ago the…
The microscopic mechanism by which doped holes disrupt the antiferromagnetic order is one of the fundamental questions in cuprates. In this work, we propose a unified microscopic theory in which doped holes form spatially localized…
We present the first calculation of the electron-energy loss spectrum of infinite one-dimensional undoped CuO_3 chains within a multi-band Hubbard model. The results show good agreement with experimental spectra of Sr_2CuO_3. The main…
In-plane, inter-carrier correlations in hole doped cuprates are investigated by ab initio multiconfiguration calculations. The dressed carriers display features that are reminiscent of both Zhang-Rice (ZR) CuO4 singlet states and…
Unrevealing local magnetic and electronic correlations in the vicinity of charge carriers is crucial in order to understand rich physical properties in correlated electron systems. Here, using high-energy optical conductivity (up to 35 eV)…
Based on the Zhang-Rice singlet picture, it is argued that the half-skyrmion is created by the doped hole in the single hole doped high-T_c cuprates with N'eel ordering. The spin configuration around the Zhang-Rice singlet, which has the…
Motivated by the recent experimental findings on the orbital ordering of cuprate SC, we have investigated the multi-orbital Hubbard model in the framework of Cu impurity approximation embedded in the O lattice by incorporating the 3d$^{8}$…
The underdoped region of the cuprate's phase diagram displays many novel electronic phenomena both in the normal and the superconducting state. Many of these anomalous properties have found a natural explanation within the resonating…
The Zhang-Rice (ZR) state is a strongly hybridized bound state formed by the transition metal and oxygen atoms. The spin-fluctuations within the ZR state are known to play an important role in high-$T_\mathrm{c}$ superconductivity in…
Using the spin-hole coherent state representation and taking a long range antiferromagnetic N\`{e}el order as a background of the localized spin degree part, we have studied the normal state behavior of the t-J model, and shown that a…