相关论文: Self-doping effect arising from electron correlati…
A central question in the high temperature cuprate superconductors is the fate of the parent Mott insulator upon charge doping. Here we use scanning tunneling microscopy to investigate the local electronic structure of lightly doped cuprate…
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…
Realistic electronic-structure calculations for correlated Mott insulators are notoriously hard. Here we present an ab initio multiconfiguration scheme that adequately describes strong correlation effects involving Cu 3d and O 2p electrons…
We study the doping-driven Mott metal-insulator transition for multi-orbital Hubbard models with Hund's exchange coupling at finite temperatures. As in the single-orbital Hubbard model, the transition is of first-order within dynamical mean…
We have investigated the doping dependencies of the basal areas in single-layer high-T_c cuprates La_{2-x}Sr_xCuO_4 and HgBa_2CuO_x, as well as in two-layer Y_{1-y}Ca_yBa_2Cu_3O_x and HgBa_2CaCu_2O_x. The basal areas not only tend to shrink…
An antiferromagnetic Hund coupling in multiorbital Hubbard systems induces orbital freezing and an associated superconducting instability, as well as unique composite orders in the case of an odd number of orbitals. While the rich phase…
We compute high-resolution angle-resolved photoemission spectroscopy of the Hubbard model using the unbiased determinant quantum Monte Carlo algorithm, revealing an asymmetry between electron and hole doping. Electron doping exhibits more…
We investigate the electrostatic effects in doped topological insulators by developing a self consistent scheme for an interacting tight binding model. The presence of bulk carriers, in addition to surface electrons, generates an intrinsic…
A recent highlight in the study of high-Tc superconductors is the observation of band renormalization / self-energy effects on the quasiparticles. This is seen in the form of kinks in the quasiparticle dispersions as measured by…
Over the past two decades, advances in computational algorithms have revealed a curious property of the two-dimensional Hubbard model (and related theories) with hole doping: the presence of close-in-energy competing ground states that…
The doping evolution of the nodal electron dynamics in the trilayer cuprate superconductor Bi$_2$Sr$_2$Ca$_2$Cu$_3$O$_{10+\delta}$ (Bi2223) is investigated using high-resolution laser-based angle-resolved photoemission spectroscopy (ARPES).…
Doping and strain dependences of the electronic structure of the CuO6-octahedra layer within LDA+GTB method in the frameworks of six-band p-d model are calculated. Band structure and Fermi surface of the quasiparticle excitations in the…
We present a joint experimental and theoretical study of the electronic structure of the cuprate chain systems A_(1-x)CuO_2 (A=Ca,Sr,Ba), as measured using O-K and Cu-L_3 x-ray absorption spectroscopy. The doping-dependent behaviour in…
We investigate the doped two-dimensional Hubbard model at finite temperature using controlled diagrammatic Monte Carlo calculations allowing for the computation of spectral properties in the infinite-size limit and, crucially, with…
Analysis of higher-order correlation functions has become a powerful tool for investigating interacting many-body systems in quantum simulators, such as quantum gas microscopes. Experimental measurements of mixed spin-charge correlation…
The two-dimensional Hubbard model is studied within the Composite Operator Method (COM) with the residual self-energy computed in the Self-Consistent Born Approximation (SCBA). COM describes interacting electrons in terms of the new…
We perform variational Monte Carlo simulations of the single-band Hubbard model on the square lattice with both nearest ($t$) and next-nearest ($t'$) neighbor hoppings. Our work investigates the consequences of increasing hole doping on the…
Within the t-t'-J model, the doping dependence of charge dynamics in electron-doped cuprates is studied. The conductivity spectrum shows a pseudogap structure with a low-energy peak appearing at $\omega\sim 0$ and an rather sharp…
We present a theoretical framework for a quantitative understanding of the full doping dependence of the optical spectra of the cuprates. In accord with experimental observations, the computed spectra show how the high-energy Mott features…
The electronic structure of interfaces between YBa$_2$Cu$_3$O$_6$ and SrTiO$_3$ is studied using local spin density approximation (LSDA) with intra-atomic Coulomb repulsion (LSDA+U). We find a metallic state in cuprate/titanate…