Related papers: Electronic Structure of Ladder Cuprates

Tetrahedrite (copper antimony sulfosalt) is promising p-type themoeletric material due to very low intrinsic thermal conductivity and moderately-high power factor, with one of the limitations being lack of n-type variant to create…

We present anisotropic, zero applied magnetic field, temperature dependent resistivity measurements on hexagonal, non-magnetic, YPtIn and LuAgGe single crystals. For these materials the in-plane resistivity, $\rho_{ab}$, is significantly…

In the present work we report the band structure calculations for the high temperature superconductor Nd$_{2-x}$Ce$_x$CuO$_4$ in the regime of strong electronic correlations within an LDA+GTB method, which combines the local density…

Several experiments in the context of ladder materials have recently shown that the study of simple models of anisotropic ladders (i.e. with different couplings along legs and rungs) is important for the understanding of these compounds. In…

An intuitive chemical perspective on the LK-99 material is outlined and supported by DFT calculations. A hidden flat Lead band that exhibits instability toward charge density wave formation is exposed. Electron transfer between Lead…

We have revisited the electronic structure of infinite-layer RNiO$_2$ (R= La, Nd) in light of the recent discovery of superconductivity in Sr-doped NdNiO$_2$. From a comparison to their cuprate counterpart CaCuO$_2$, we derive essential…

Using two different numerical methods, we study the behavior of two-component Fermi gases interacting through short-range s-wave interactions in a harmonic trap. A correlated Gaussian basis-set expansion technique is used to determine the…

The spin gap material IPA-CuCl3 has been extensively studied as a ferromagnetic-antiferromagnetic bondalternating S = 1/2 chain. This description of the system was derived from structural considerations and bulk measurements. New inelastic…

We present for the first time the band structure calculation of $Bi_2Sr_2Ca_2Cu_3O_{10}$ compound in the tetragonal structure (space group $I4/mmm$). We used the Local Density Approximation (LDA) as in the Wien2k code. We analyze in detail…

The Hubbard model is believed to capture the essential physics of cuprate superconductors. However, recent theoretical studies suggest that it fails to reproduce a robust and homogeneous superconducting ground state. Here, using resonant…

The electronic structure and chemical bonding of the recently discovered inverse perovskite Sc3AlN, in comparison to ScN and Sc metal have been investigated by bulk-sensitive soft x-ray emission spectroscopy. The measured Sc L, N K, Al L1,…

We present results of it ab initio LDA calculations of electronic structure of "next generation" layered ironpnictide High-Tc superconductor LiFeAs (Tc=18K). Obtained electronic structure of LiFeAs is very similar to recently studied…

The structural and electronic properties of gold decorated Si(335) surface are studied by means of density-functional calculations. The resulting structural model indicates that the Au atoms substitute some of the Si atoms in the middle of…

Previously we showed the major effect of electron correlation in the cuprate superconductors is to lower the energy of the Cu d_x^2-y^2/O p_sigma (x^2-y^2) band with respect to the Cu d_z^2/O' p_z (z^2) band. In our 2D Hubbard model for…

Non-Fermi-liquid features of the high-Tc cuprates, and specifically the systematic behavior of the resistivity, Hall constant, and thermoelectric power, are shown to result from an electronic structure based on "large-U" and "small-U"…

We report angle-resolved photoemission spectroscopy (ARPES) on two families of high temperature superconductors (Ca$_{x}$La$_{1-x}$)(Ba$_{1.75-x}$ La $% _{0.25+x}$)Cu$_{3}$O$_{y}$ with $x=0.1$ ($T_{c}^{max}=56$ K) and $x=0.4$ ($%…

We study the single-particle properties of quarter-filled ladder systems such as sodium vanadate by means of a recently developed generalization of the variational cluster perturbation theory to extended Hubbard models. We find a…

We perform first-principles calculation to study the electronic structure of HgBa$_{2}$Ca$_{n-1}$Cu$_{n}$O$_{2n+2+x}$ copper oxides up to $n = 6$ for the undoped parent compound $(x = 0)$ and up to $n = 3$ for the doped compound $(x > 0)$…

The minimal ingredients to explain the essential physics of layered copper-oxide (cuprates= materials remains heavily debated. Effective low energy single-band models of the copper-oxygen orbitals are widely used because there exists no…

Oxide-based two-dimensional electron gases (2DEGs) have generated significant interest due to their potential for discovering novel physical properties. Among these, 2DEGs formed in KTaO3 stand out due to the recently discovered crystal…