Related papers: Magnetic interactions in Cu-containing heterospin …
A novel organometallic compound 2Dioxane.CuCl2.2H2O has been synthesized and structurally characterized by X-ray crystallography. Magnetic susceptibility and zero-field inelastic neutron scattering have also been used to study its magnetic…
Cubic perovskite-structure ABO$_3$ and A$_{1-x}$A$^{\prime}$$_x$BO$_3$-type oxides have been investigated extensively while their hexagonal-structure versions have received minimal attention, even though they are multiferroic and can form…
Recently synthesized quadruple perovskite CuCu$_3$Fe$_2$Re$_2$O$_{12}$ possesses strong ferromagnetism and unusual electron properties, including enhanced electronic specific heat. Application of the first principles electronic structure…
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…
Magnetic properties of a quasi one-dimensional magnet CuV_2O_6 have been studied by means of susceptibility measurement, NMR and powder neutron diffraction. Cu^{2+} spins (S=1/2) order antiferromagnetically below 22.6 K, and the saturation…
Systematically studying the crystal, magnetic, and electronic structures of PuGa3 with density functional theory (DFT) reveals the entanglement of the three types of structure. Magnetic structure affects the energy more strongly than…
Depending on the crystal growth conditions, an orthorhombic (O-type) or a tetragonal (T-type) structure can be found in the solid solution Cs2CuCl4-xBrx (0 < x < 4). Here we present measurements of the temperature-dependent magnetic…
The magnetic and structural properties of polycrystalline Co$_{4-x}$ Ni$_x$ Nb$_2$ O$_9$ (x=1,2) have been investigated by neutron powder diffraction, magnetization and heat capacity measurements, and density functional theory (DFT)…
In this work we present a theoretical investigation into an antiferromagnetically coupled spin system, specifically ${\rm Cu}_{3}-X$ ($\mathrm{X=As,Sb}$), which exhibits an isosceles triangular configuration or slightly distorted…
Achieving long-range ferrimagnetic order in purely organic systems remains a major challenge in molecular magnetism. Here we report the synthesis and characterization of heterospin-coupling motifs, formed by covalently linking spin-1/2 and…
In order to investigate the phase stability of equiatomic FeN compounds and the structure-dependent magnetic properties, the electronic structure and total energy of FeN with NaCl, ZnS and CsCl structures and various magnetic configurations…
By means of density functional theory (DFT) calculations (with and without inclusion of spin-orbit (SO) coupling) we present a detailed study of the electronic structure and corresponding microscopic Hamiltonian parameters of Na2IrO3. In…
We have used single crystal X-ray diffraction methods to establish the crystal structures of a compound in the Pd-Mn-Si system and in the Pd-Mn-Ge system. The title compounds have structures related to the Fe$_2$P structure type and are…
The intermetallic $\tau_{11}$ Al$_4$Fe$_{1.7}$Si phase is of interest for high-temperature structural application due to its combination of low density and high strength. We determine the crystal structure of the $\tau_{11}$ phase through a…
Noncollinear metallic antiferromagnets, with their rapid spin dynamics, efficient spin transport, and distinctive spin textures, play a pivotal role in advancing the field of spintronics. In this study, we report a comprehensive…
We investigate hyperfine interaction (HFI) using density-functional theory for several open-shell planar $sp^2$-carbon nanostructures displaying $\pi$ magnetism. Our prototype structures include both benzenoid ([$n$]triangulenes and a…
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…
We report on inelastic neutron scattering (INS) measurements on the molecular spin ring CsFe$_8$, in which eight spin-5/2 Fe(III) ions are coupled by nearest-neighbor antiferromagnetic Heisenberg interaction. We have recorded INS data on a…
An extensive experimental investigation on the structural, static magnetic, and non-equilibrium dynamical properties of polycrystalline Mn$_2$CuGe Heusler alloy using powder X-ray diffraction, DC magnetization, magnetic relaxation, magnetic…
The crystal and magnetic structures of the spin $S$=1 hexamer cluster fedotovite-like A$_{2}$Cu$_{3}$O(SO$_4$)$_3$ (A$_2$=K$_2$, NaK, Na$_2$) were studied by neutron powder diffraction at temperatures 1.6-290 K. The crystal structures in…