相关论文: Visualizing the Zhang-Rice singlet, molecular orbi…
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…
Understanding the electron pairing in hole-doped cuprate superconductors has been a challenge, in particular because the "normal" state from which it evolves is unprecedented. Now, after three and a half decades of research, involving a…
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…
The pairing mechanism of high temperature superconductivity in cuprates is regarded as one of the most challenging issues that we are facing now. The core issue is about how the Cooper pairs are formed. There are plenty pictures concerning…
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…
High temperature superconductivity in cuprate superconductors is generally considered to be generated from doping the Mott insulators. The fundamental nature of the doped parent compounds as well as the microscopic origin of electron…
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…
The cuprates exhibit anomalous momentum-space structure with antinodal gap and nodal arc in the underdoped regime, which evolves into a complete hole-type Fermi surface with a large Luttinger volume in the overdoped regime. The real-space…
Although the mechanism of superconductivity in the cuprates remains elusive, it is generally agreed that at the heart of the problem is the physics of doped Mott insulators. The cuprate parent compound has one unpaired electron per Cu site,…
Starting with a minimal model for the CuO$_2$ planes with the on-site Hilbert space reduced to a charge triplet of the three effective valence centers [CuO$_4$]$^{7-,6-,5-}$ (nominally Cu$^{1+,2+,3+}$) with different conventional spin,…
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 recently discovered cuprate superconductor Ba$_2$CuO$_{3+\delta}$ exhibits a high $T_c\simeq73$K at $\delta\simeq0.2$. The polycrystal grown under high pressure has a structure similar to La$_2$CuO$_4$, but with dramatically different…
We theoretically investigate the Cooper-pair symmetry to be realized in hole-doped monolayer MoS$_2$ by solving linearized BCS gap equations on the three-orbital attractive Hubbard-like model in the presence of the atomic spin-orbit…
While the pseudogap dominates the phase diagram of hole-doped cuprates, connecting the antiferromagnetic parent insulator at low doping to the strange metal at higher doping, its origin and relation to superconductivity remains unknown. In…
The issue of how superconductivity originate in the $CuO_2$ planes believed to be crucial to understanding the high $T_c$ superconducting cuprates is still an going debate. In the wake of recent experimental observations of the the…
I propose that a dopant charge singlet bonding state may arise from the hybridization of molecular orbitals in a cluster containing 13 Cu atoms in the CuO2 plane of the superconducting cuprates. This singlet state forms a pre-formed pair…
We propose as key of superconductivity in (hole-doped) cuprates a novel excitation of magnetic origin, characteristic of two-dimensions and of purely quantum nature: the antiferromagnetic spin vortices. In this formalism the charge pairing…
The phase diagram of the high-Tc cuprates is dominated by the Mott insulating phase of the parent compounds. As we approach it from large doping, a standard Fermi-liquid gradually turns into a bad non-Fermi liquid metal, a process which…
In conventional metal superconductors such as aluminum, the large number of weakly bounded Cooper pairs become phase coherent as soon as they start to form. The cuprate high critical temperature ($T_c$) superconductors, in contrast, belong…
With high-Tc cuprates in mind, properties of correlated dx2-y2-wave superconducting (SC) and antiferromagnetic (AF) states are studied for the Hubbard (t-t'-U) model on square lattices, using a variational Monte Carlo method. We employ…