相关论文: Structural and magnetic dimers in the spin-gapped …
Using first-principles electronic structure calculations based on the Nth order muffin tin orbital (NMTO)-downfolding technique, we derived the low-energy spin model for CuTe2O5. Our study reveals that this compound is a 2D coupled…
Cu$_2$Fe$_2$Ge$_4$O$_{13}$ is a bicomponent compound that consists of Cu dimers and Fe chains with separate energy scale. By inelastic neutron scattering technique with high-energy resolution we observed the indirect Fe - Fe exchange…
The electronic and magnetic structure, including the Heisenberg model exchange interaction parameters, was explored for the recently proposed novel cuprate Cu$_2$F$_5$. Using the DFT+U calculation, it is shown that the compound is formed by…
We present here a study of the magnetic properties of the antiferromagnetic dimer material CuVOF$_4$(H$_2$O)$_6\cdot$H$_2$O, in which the dimer unit is composed of two different $S = 1/2$ species, Cu(II) and V(IV). An applied magnetic field…
A combined theoretical and experimental study of the natural Cu(2+)-mineral callaghanite is presented. Its crystal structure features well separated Cu$_2$(OH)$_6$ structural dimers with weakly bonded carbonate groups and water molecules in…
Magnetic susceptibility and microscopic magnetic model of the mineral clinoclase Cu3(AsO4)(OH)3 are reported. This material can be well described as a combination of two nonequivalent spin dimers with the sizable magnetic couplings of J…
A microscopic magnetic model for the spin-1/2 Heisenberg chain compound CuSe2O5 is developed based on the results of a joint experimental and theoretical study. Magnetic susceptibility and specific heat data give evidence for quasi-1D…
We investigate the properties of CuVOF$_4$(H$_2$O)$_6$$\cdot$H$_2$O, in which two different spin species, Cu(II) and V(IV), form antiferromagnetic spin-1/2 dimers with weak interdimer coupling provided via hydrogen bonding. Using…
Neutron diffraction, magnetization, resistivity, and heat capacity measurements on the 6H-perovskite Ba3BiRu2O9 reveal simultaneous magnetic and structural dimerization driven by strong magnetoelastic coupling. An isostructural but strongly…
We report on magnetization and specific heat measurements on single-crystalline CuTe2O5. The experimental data are directly compared to theoretical results for two different spin structures, namely an alternating spin-chain and a…
We report on the microscopic magnetic modeling of the spin-1/2 copper mineral malachite at ambient and elevated pressures. Despite the layered crystal structure of this mineral, the ambient-pressure susceptibility and magnetization data can…
Understanding the dynamics of interacting quantum spins has been one of the active areas of condensed matter physics research. Recently, extensive inelastic neutron scattering measurements have been carried out in an interesting class of…
We have studied the structural, magnetic properties, and electronic structure of the compound InCuPO5 synthesized by solid state reaction method. The structure of InCuPO5 comprises of S = 1/2 uniform spin chains formed by corner-shared CuO4…
Two perovskite-derived materials, CaCu3Mn4O12 and CaCu3Ti4O12, have drawn much recent interest due to their magnetoresistive, dielectric, and magnetoelectronic characteristics. Here we present initial theoretical insights into each of these…
Recently measured high-field ESR spectra of the spin dimer material TlCuCl3 are described within the framework of an effective field theory. A good agreement between the theory and experiment is achieved, for all geometries and in a wide…
Identifying and characterizing the parent phases of iron-based superconductors is an important step towards understanding the mechanism for their high temperature superconductivity. We present an investigation into the magnetic interactions…
Na5Cu3O6, a new member of one dimensional charge ordered chain cuprates, was synthesized via the azide/nitrate route by reacting NaN3, NaNO3 and CuO. According to single crystal X-ray analysis, one dimensional CuO2 chains built up from…
Sr$_{3}$Cr$_{2}$O$_{8}$ consist of a lattice of spin-1/2 Cr$^{5+}$ ions, which form hexagonal bilayers and which are paired into dimers by the dominant antiferromagnetic intrabilayer coupling. The dimers are coupled three-dimensionally by…
We have studied the electronic structure of the spin-gapped system CsV$_2$O$_5$ by means of an ab initio calculation. Our analysis and a re-examination of the susceptibility data indicate that the behavior of this system is much closer to…
Inelastic neutron scattering measurements demonstrate that the magnetic interactions in antiferromagnetic LaFeAsO are two-dimensional. Spin wave velocities within the Fe layer and the magnitude of the spin gap are similar to the…