Related papers: Electronic Structure of Spin-Chain Compounds: Comm…
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…
While recent experiments have found that at optimum doping for the highest critical temperature in HgBa$_2$CuO$_{4+y}$ (Hg1201) the oxygen interstitials (O-i) are not homogeneously distributed but form one-dimensional atomic wires, there…
A comprehensive theoretical and experimental study is presented of the magnetic susceptibility versus temperature \chi(T) of spin S = 1/2 two- and three-leg Heisenberg ladders and ladder oxide compounds. Extensive quantum Monte Carlo…
The notable results shown by Bozovic et al. from measurements of synthesized one-unit-cell thick of La1.85Sr0.15CuO4,La2CuO4 HTS/AF/HTS tri-layer junctions query the predictions by prevalent models since there is no observable mixing of…
Structural analysis of a layered manganese tungstate diaminoalkane hybrid series suggests that this compound forms a spin-5/2 spin-ladder structure. We use X-ray diffraction, electron microscopy and x-ray absorption spectroscopy results to…
Li2Pd3B is known to be superconducting, while the isotypical Li2Pt3B compound is not. Electronic structures of Li2Pd3B and Li2Pt3B have been calculated in order to obtain an insight into this surprising difference, through an analysis of…
We study magnetic and electronic properties of two-leg ladder materials. We observed a two-magnon (2M) resonance which we analyze in terms of symmetry, relaxation and resonance properties. Our findings were contrasted to 2M Raman…
We used transport and Raman scattering measurements to identify the insulating state of self-doped spin 1/2 two-leg ladders of Sr_{14}Cu_{24}O_{41} as a weakly pinned, sliding density wave with non-linear conductivity and a giant dielectric…
Strongly correlated Fermi systems are among the most intriguing and fundamental systems in physics. We show that the herbertsmithite ZnCu3(OH)6Cl2 can be viewed as a new type of strongly correlated electrical insulator that possesses…
We present results of all-electron electronic structure calculations for the recently discovered d electron heavy fermion compound LiV_2O_4. The augmented spherical wave calculations are based on density functional theory within the local…
The magnetic properties of polycrystalline samples of Ba3Cu3In4O12 (In-334) and Ba3Cu3Sc4O12 (Sc-334) are reported. Both 334 phases have a structure derived from perovskite, with CuO4 squares interconnected to form half-twist ladders along…
LaCuO_2.5 is a system of coupled, two-chain, cuprate ladders which may be doped systematically by Sr substitution. Motivated by the recent synthesis of single crystals, we investigate theoretically the possibility of superconductivity in…
We discuss the crystal, electronic, and magnetic structures of $\mathrm{La_{2-x}Sr_{x}CuO_{4}}$ (LSCO) for $x=0.0$ and $x=0.25$ employing 13 density functional approximations, representing the local, semi-local, and hybrid…
The electronic and magnetic properties of the delafossite CuFeO2 are investigated by means of electronic structure calculations. They are performed using density functional theory in the generalized gradient approximation as well as the new…
A two-parameter family of quantum spin ladders with local bilinear and biquadratic interactions is shown to be solvable by a mapping onto fragments of integrable spin 1 chains. The phase diagram, consisting of four phases, and the ground…
Based on the Majumdar-Ghosh chain we construct several spin models which allow us to investigate spinon dynamics in the regime close to deconfinement of spinons. We consider the J_1 - J_2 - \delta model, two coupled J_1 - J_2 chains…
Macroscopic magnetic properties and microscopic magnetic structure of Rb$_2$Mn$_3$(MoO$_4$)$_3$(OH)$_2$ (space group $Pnma$) are investigated by magnetization, heat capacity and single-crystal neutron diffraction measurements. The…
The electronic structure and magnetic properties of CaCr$\mathrm{O}_3$ have been calculated by two methods, including hybrid-exchange density-function theory and density-functional theory + $U$. The computed densities of states from both of…
Even though organic conductors have complicated crystalline structure with low symmetry and large unit cell, band structure calculations predict multiband quasi-two dimensional electronic structure yielding very simple Fermi surface in most…
We study the magnetism of the hole doped CuO2 spin chains in Sr14Cu24O41 by measuring the Electron Spin Resonance (ESR) and the static magnetization M in applied magnetic fields up to 14 T. In this compound, the dimerized ground state and…