Related papers: Cu-based metalorganic systems: an ab initio study …
Experimental results obtained by using x-ray absorption spectroscopy show that the configurations of Cu sites in the CuO2 plane of Bi 2:2:1:2 high Tc superconductors are not homogeneous. Different Cu sites are characterized by short 0.23 nm…
We investigate a spin-$\frac{1}{2}$ antiferromagnet, CuBr$_2$, which has quasi-one-dimensional structural motifs. The system has previously been observed to exhibit unusual Raman modes possibly due to a locally deformed crystal structure…
We report here the completion of the electronic structure of the majority of the known stoichiometric inorganic compounds, as listed in the International Crystal Structure Data-base (ICSD). We make a detailed comparison of the electronic…
We investigate the ground-state phase diagram of a spin-1/2 honeycomb-lattice antiferromagnetic (AF) Heisenberg model with three exchange interactions, $J_{\rm A}$, $J_{\rm B}$, and $J_{\rm C}$ that is realized in a distorted…
A cubic structure of polymer colloid complexes is studied. The technique of the research includes i) an analysis of well-known literature SAXS data; on this base, at some assumptions, ii) constructing a simple model to estimate geometric…
In this work we propose a novel solid-state platform for creating quantum simulators based on implanted spin centers in semiconductors. We show that under the presence of an external magnetic field, an array of $S=1$ spin centers…
We use the coupled cluster method (CCM) to study the zero-temperature ground-state (GS) properties of a spin-1/2 $J_{1}$--$J_{2}$ Heisenberg antiferromagnet on a triangular lattice with competing nearest-neighbor and next-nearest-neighbor…
The magnetic properties of a new family of molecular-based quasi-two dimension $S=1/2$ Heisenberg antiferromagnets are reported. Three compounds, ($Cu(pz)_2(ClO_4)_2$, $Cu(pz)_2(BF_4)_2$, and $[Cu(pz)_2(NO_3)](PF_6)$) contain similar planes…
Quantum spin rings represent fundamental model systems that exhibit distinctive quantum phenomena-such as quantum critical behavior and quasiparticle excitations-arising from their periodic boundary conditions and enhanced quantum…
Cuprate superconductors have attracted extensive attention due to high critical temperatures. Conventional cuprates typically contain perfect CuO$_2$ planes which are considered as a key factor to superconductivity since the…
The problem of importance of strong correlations for the electronic structure, transport and magnetic properties of half--metallic ferromagnetic CrO_2 is addressed by performing density functional electronic structure calculations in the…
Ground state and finite temperature properties of a system of coupled frustrated and/or dimerized spin-1/2 chains modeling e.g. the CuGeO$_3$ compound are reviewed. Special emphasis is put on the investigation of the role of impurity…
We present specific-heat and neutron-scattering results for the \emph{S}=1/2 quantum antiferromagnet (dimethylammonium)(3,5-dimethylpyridinium)CuBr$_4$. The material orders magnetically at \emph{T}$_N$=1.99(2)\,K, and magnetic excitations…
Using electron-spin-resonance (ESR) technique we investigate the magnetic structure of CuCrO2, quasi-two-dimensional antiferromagnet with weakly distorted triangular lattice. Resonance frequencies and the excitation conditions in CuCrO2 at…
We study the ground state and thermodynamic properties of the spin-half XXZ model, with an Ising interaction $J_z$ and a transverse exchange interaction $J_{x}$, on a pyrochlore tube obtained by joining together elementary cubes in a…
Here we report a resonant x-ray diffraction (RXD) study at the Cu L3 edge on the multi-chiral system CsCuCl3, exhibiting helical magnetic order in a chiral crystal structure. RXD is a powerful technique to disentangle electronic degrees of…
The central target of spintronics research is to achieve flexible control of highly efficient and spin-polarized electronic currents. Based on first-principles calculations and k-p models, we demonstrate that Cu2S/MnSe heterostructures are…
We apply the microscopic coupled-cluster method (CCM) to the spin-$1\over2$ $XXZ$ models on both the one-dimensional chain and the two-dimensional square lattice. Based on a systematic approximation scheme of the CCM developed by us…
Experimental studies of the electronic structure remain the basic means for understanding the nature of high-temperature superconductivity (HTSC) and testing relevant theoretical models. Appreciable contributions to establish the overall…
The antiferromagnetic Heisenberg chain is expected to have an extended symmetry, [SU(2)xSU(2)]/Z 2 , in the infrared limit, whose physical interpretation is that the spin and dimer order parameters form the components of a common…