相关论文: Hybridization and spin-orbit coupling effects in q…
We report on the microscopic model of the recently synthesized one-dimensional quantum magnet (NO)Cu(NO3)3. Applying density functional theory band structure calculations, we obtain a leading antiferromagnetic exchange coupling J ~ 200 K,…
Elastic and inelastic neutron scattering were used to study the ordered phase of the quasi-one-dimensional spin-1/2 antiferromagnet ${\rm BaCu_{2}Si_{2}O_{7}}$. The previously proposed model for the low-temperature magnetic structure was…
We report on the microscopic magnetic model of a spin-1/2 magnet BaV$_3$O$_8$. In contrast to earlier phenomenological analysis, our density-functional band-structure calculations combined with quantum Monte-Carlo simulations establish a…
In this work we study the interplay between the crystal structure and magnetism of the pyroarsenate \alpha-Cu_2As_2O_7 by means of magnetization, heat capacity, electron spin resonance and nuclear magnetic resonance measurements as well as…
Competing magnetic interactions in low-dimensional quantum magnets can lead to the exotic ground state with fractionalized excitations. Herein, we present our results on an S = 5/2 quasi-one-dimensional spin system Bi3FeMo2O12. The…
The magnetic anisotropy af a rectangular Cu-O-Cu bond is investigated in second order of the spin-orbit interaction. Such a bond is characteristic for cuprates having edge sharing CuO_2 chains, and exists also in the Cu_3O_4 plane or in…
We report on a study of the electronic and magnetic properties of the triangular antiferromagnetic $\{Cu_3\}$ single-molecule magnet, based on spin density functional theory. Our calculations show that the low-energy magnetic properties are…
The electronic ground state of Ca3LiOsO6 was recently considered within an intermediate coupling regime that revealed J=3/2 spin-orbit entangled magnetic moments. Through inelastic neutron scattering and density functional theory we…
CsCuCl_3 is a ferromagnetically stacked triangular spin-1/2 antiferromagnet. We discuss models for its zero-temperature magnetization process. The models range from three antiferromagnetically coupled ferromagnetic chains to the full…
We report the microscopic magnetic model for the spin-1/2 Heisenberg system CdCu2(BO3)2, one of the few quantum magnets showing the 1/2-magnetization plateau. Recent neutron diffraction experiments on this compound [M. Hase et al., Phys.…
We report structural and magnetic properties of the spin-$\frac12$ quantum antiferromagnet Cu[C$_6$H$_2$(COO)$_4$][C$_2$H$_5$NH$_3$]$_2$ by means of single-crystal x-ray diffraction, magnetization, heat capacity, and electron spin resonance…
We report the crystal growth and structural and magnetic properties of quasi two-dimensional $S=1/2$ quantum magnet Cu[C$_6$H$_2$(COO)$_4$][H$_3$N-(CH$_2$)$_2$-NH$_3$]$\cdot$3H$_2$O. It is found to crystallize in a monoclinic structure with…
The Ba3Cu3In4O12 stands for unique topology of the magnetic subsystem. It consists of rotated by 90\Box$^b$ relative to each other "paper-chain" columns made of vertex-sharing CuIO4 and CuIIO4 planar units. The overall pattern of the copper…
We report the crystal structure, magnetization measurements, and band-structure calculations for the spin-1/2 quantum magnet CaCu2(SeO3)2Cl2. The magnetic behavior of this compound is well reproduced by a uniform spin-1/2 chain model with…
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…
Less common ligand coordination of transition-metal centers is often associated with peculiar valence-shell electron configurations and outstanding physical properties. One example is the Fe$^+$ ion with linear coordination, actively…
We report single crystal growth and magnetic susceptibility and neutron diffraction studies of the S=1/2 quasi-1D antiferromagnet CaCu2O3. The structure of this material is similar to that of the prototype two-leg spin-ladder compound…
The quest for Kitaev quantum spin liquids has led to great interest in honeycomb quantum magnets with strong spin-orbit coupling. It has been recently proposed that even Mott insulators with $3d$ transition metal ions, having nominally weak…
We present a theoretical and experimental study of a quasi-one-dimensional zigzag antiferromagnet (N_2H_5)CuCl_3, which can be viewed as weakly coupled Heisenberg chains with a frustrated interaction. We first discuss generic features of…
We report on band structure calculations and a microscopic model of the low-dimensional magnet beta-Cu2V2O7. Magnetic properties of this compound can be described by a spin-1/2 anisotropic honeycomb lattice model with the averaged coupling…