相关论文: Doped Spin Ladder: Zhang-Rice Singlets or Rung-cen…

We consider a multiband charge transfer model for a single spin ladder describing the holes in Sr$_{14-x}$Ca$_x$Cu$_{24}$O$_{41}$. Using Hartree-Fock approximation we show how the charge density wave, with its periodicity dependent on…

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…

We formulate a d-p multiband charge transfer model for Cu$_2$O$_5$ coupled spin ladders, relevant for Cu$_2$O$_3$ plane of Sr$_{14-x}$Ca$_x$Cu$_{24}$O$_{41}$, and solve it using Hartree-Fock approximation. The results explain that (i) 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…

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…

We report an electron spin resonance (ESR) study of single crystals of the spin-chain spin-ladder compound (Sr,La,Ca)_{14}Cu_{24}O_{41}. The data suggest that in intrinsically hole doped Sr_{14-x}Ca_xCu_{24}O_{41} only a small amount of…

The spin configuration induced by single holes and hole pairs doped into stoichiometric, antiferromagnetic cuprates is considered. Unrestricted Hartree-Fock calculations for the three-band Hubbard model are employed to study spin-polaron…

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…

We report the results of a ^63Cu and ^17O NMR study of the nuclear quadrupole interaction tensor, ^(17,63)nu\_{Q,alpha}, in the hole doped spin ladder system Sr\_(14-x)Ca\_xCu\_24O\_41 (x = 0 and 12) performed under ambient and high…

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,…

The distribution of holes in Sr$_{14-x}$Ca$_x$Cu$_{24}$O$_{41}$ (SCCO) is revisited with semi-emperical reanalysis of the x-ray absorption (XAS) data and exact-diagonalized cluster calculations. A new interpretation of the XAS data leads to…

We show that pronounced modulations in spin and charge densities can be induced by the insertion of a single hole in an otherwise half-filled 2-leg Hubbard ladder. Accompanied with these modulations is a loosely bound structure of the doped…

Recent observations of an 80 K superconductor in La$_3$Ni$_2$O$_7$ under high pressure have attracted significant attention. Recent experiments indicate that La$_3$Ni$_2$O$_7$ may be in the charge transfer regime, challenging the previous…

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 ordered alloy La_2Li_{0.5}Cu_{0.5}O_4 is found to be a band insulator in local density approximation (LDA) calculations with the unoccupied conduction band having predominantly d_{x^2-y^2}-symmetry and substantial weight in O…

We examine the electronic states of Sr$_{14-x}$Ca$_x$Cu$_{24}$O$_{41}$ by the ionic and cluster model approach. It is found that self-doped holes are likely to stay on the chain at $x=0$ and the Ca substitution drives the holes to move to…

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…

Incommensurate crystal structures of spin ladder series Sr14-xCaxCu24O41 (x=3, 7, 11, 12.2) were characterized by powder neutron scattering method and refined using the superspace group Xmmm(00{\gamma})ss0 (equivalent to superspace group…

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…

Recently, conductivity measurements were performed on the hole-doped two-leg ladder material Sr_{14-x}Ca_xCu_{24}O_{41}. In this work, we calculate the conductivity for doped two-leg ladders using a model of hole-pairs forming a strongly…