Related papers: Electronic Structure of Spin-Chain Compounds: Comm…
Electronic structure calculations are presented for KCo$_2$As$_2$ and alloys with KFe$_2$As$_2$ and KRu$_2$As$_2$. These materials show electronic structures characteristic of coherent alloys, with a similar Fermi surface structure to that…
Pseudobinary heterostructural alloys of ZnO with MgO or CdO are studied by composing the system locally of clusters with varying ratio of cations. We investigate fourfold (wurtzite structure) and sixfold (rocksalt structure) coordination of…
Here we present the discovery and characterization of a series of antimonides Ln$_2$Ti$_9$Sb$_{11}$ (Ln: La--Nd) which exhibit well-isolated, $n=2$ rare-earth spin ladders. We discuss the structure of the new compounds, with a particular…
A crystalline form of LiBC is known which has been predicted to be superconducting, with a Tc comparable to that of MgB_2. In both compounds, superconductivity is enhanced by the presence of two electronic bands, one of which is close to a…
Within a first principles framework, we study the electronic structure of the recently synthesized polymeric coordination compound Cu(II)-2,5-bis(pyrazol-1-yl)-1,4-dihydroxybenzene (CuCCP), which has been suggested to be a good realization…
Electronic structures of a superconductor without inversion symmetry, LaPdSi3, and its non-superconducting counterpart, LaPdGe3, have been calculated employing the full-potential local-orbital method within the density functional theory.…
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 critical properties of the $S=1/2$ Heisenberg two-leg ladders are investigated in a magnetic field. Combining the exact diagonalization method and the finite-size-scaling analysis based on conformal field theory, we calculate the…
An interesting feature of spin-1/2 chains with a gap is that they undergo a commensurate-incommensurate transition in the presence of an external magnetic field $H$. The system is in a gapless incommensurate regime for all values of the…
To allow for a comparison of theoretical predictions for spin chains with experimental data, it is often important to take impurity effects as well as interchain couplings into account. Here we present the field theory for finite spin…
We present a theoretical study of two spinless fermion wires coupled to a three dimensional semiconducting substrate. We develop a mapping of wires and substrate onto a system of two coupled two-dimensional ladder lattices using a block…
We propose two possible new compounds, Ba$_2$CuO$_2$Fe$_2$As$_2$ and K$_2$CuO$_2$Fe$_2$Se$_2$, which hybridize the building blocks of two high temperature superconductors, cuprates and iron-based superconductors. These compounds consist of…
Heisenberg ladders are investigated using the bond-mean-field theory [M.Azzouz, Phys. Rev. B 48, 6136 (1993)]. The zero inter-ladder coupling energy gap, the uniform spin susceptibility and the nuclear magnetic resonance spin-relaxation…
Inelastic light-scattering spectra of underdoped ${\rm La_{2-x}Sr_xCuO_4}$ (LSCO) single crystals are presented which provide direct evidence of the formation of quasi one-dimensional charged structures in the two-dimensional $\rm CuO_2$…
First-principles density functional calculations reveal that aluminum can form planar chains in zigzag and ladder structures. The most stable one has equilateral triangular geometry with four nearest neighbors; the other stable zigzag…
The link between crystal and electronic structure is crucial for understanding structure-property relations in solid-state chemistry. In particular, it has been instrumental in understanding topological materials, where electrons behave…
The structure and the magnetic properties of layered Li3Cu2SbO6 are investigated by powder X-ray diffraction, static susceptibility, and electron spin resonance studies up to 330 GHz. The XRD data experimentally verify the space group C2/m…
With angle-resolved photoemission spectroscopy, we studied the electronic structure of TaFe$_{1.23}$Te$_3$, which is a two-leg spin ladder compound with a novel antiferromagnetic ground state. Quasi-two-dimensional Fermi surface is…
The crystal and magnetic structures of the S = 3/2 chain antiferromagnet beta-CaCr2O4 have been investigated by means of specific heat, magnetization, muon relaxation and neutron powder diffraction between 300K and 1.5K. Owing to 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…