相关论文: Comment on "Relevance of Cu-3d multiplet structure…

The ladder compound Sr$_{14}$Cu$_{24}$O$_{41}$ is of interest both as a quasi-one-dimensional analog of the superconducting cuprates and as a superconductor in its own right when Sr is substituted by Ca. In order to model resonant inelastic…

It is now well established that Zn doping of high-$T_C$ cuprates reduces their $T_C$ and triggers the appearence of a spin glass phase. In this context, we have solved exactly the problem of N non magnetic impurities in the staggered flux…

We report results of large scale ground state density matrix renormalization group(DMRG) calculations on $t$-$t'$-$J$ cylinders with circumferences 6 and 8. We determine a rough phase diagram which appears to approximate the 2D system.…

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 relevance of the single-band two-dimensional Hubbard model to superconductivity in the doped cuprates has recently been questioned, based on Density matrix Renormalization Group (DMRG) computations on extended t-J models that found…

Recently proposed scenarios for the cuprates make extensive use of a ``flat'' quasiparticle (q.p.) dispersion and short-range hole-hole interactions in real-space, both caused by antiferromagnetic (AF) correlations. The density of states…

Although the vast majority of high-$T_c$ cuprate superconductors are hole-doped, a small family of electron-doped compounds exists. Under investigated until recently, there has been tremendous recent progress in their characterization. A…

Electronic structure and band characteristics for zinc monochalcogenides with zinc-blende- and wurtzite-type structures are studied by first-principles density-functional-theory calculations with different approximations. It is shown that…

Using a newly developed first-principles Wannier-states approach that takes into account large on-site Coulomb repulsion, we derive the effective low-energy interacting Hamiltonians for several prototypical high-$T_c$ superconducting…

We study doping dependence of interlayer hoppings, t_\perp, in multilayered cuprates with four or more CuO_2 planes in a unit cell. When the double occupancy is forbidden in the plane, an effective amplitude of t_\perp in the Gutzwiller…

We use the numerically unbiased determinant quantum Monte Carlo (DQMC) method to systematically investigate the three-orbital Emery model in the normal state in a wide range of local interactions, charge transfer energy, and doping levels.…

For the calculation of charge excitations as those observed in, e.g., photo-emission spectroscopy or in electron-energy loss spectroscopy, a correct description of ground-state charge properties is essential. In strongly correlated systems…

In this Letter, we develop a microscopic theory to describe the close proximity between the insulating antiferromagnetic (AF) order and the d-wave superconducting (dSC) order in cuprates. We show that the cuprate ground states form a…

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,…

One of the central questions in cuprate superconductivity is if superconductivity can exist in an isolated single CuO$_2$ plane without any interlayer coupling. There have been numerous experimental efforts to answer this question, but it…

First-principles density-functional calculations have been performed for zinc monochalcogenides with zinc-blende- and wurtzite-type structures. It is shown that the local-density approximation underestimates the band gap, misplaces the…

Both theoretical considerations and experimental data point to a more complicated nature of the valence hole states in doped cuprates than it is predicted by Zhang-Rice model. Actually, we deal with a competition of conventional hybrid Cu…

Despite decades of progress, an understanding of unconventional superconductivity still remains elusive. An important open question is about the material dependence of the superconducting properties. Using the quasiparticle self-consistent…

Murunskite K$_2$Cu$_3$FeS$_4$ is a representative sulfosalt, isostructural to the pnictides, but with electronic properties more similar to the insulating parent compounds of the cuprates. We use it as a bridge to compare the chemical and…

Here we use a description of the electronic correlations contained in the Hubbard model on the square-lattice perturbed by very weak three-dimensional uniaxial anisotropy in terms of the residual interactions of charge $c$ fermions and…