Related papers: Magnetic Coupling and Long-Range Order in the Spin…
We investigate the microscopic origin of the ferromagnetic and antiferromagnetic spin exchange couplings in the quasi one-dimensional cobalt compound Ca3Co2O6. In particular, we establish a local model which stabilizes a ferromagnetic…
We present a detailed powder and single crystal neutron diffraction study of the spin chain compound Ca3Co2O6. Below 25 K, the system orders magnetically with a modulated partially disordered antiferromagnetic structure. We give a…
Electronic and magnetic structures of the newly synthesized cobalt oxyselenide La2Co2Se2O3 (structurally similar to the superconducting iron pnictides) are studied through density functional calculations. The obtained results show that this…
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,…
We report long-range ordered antiferromagnetism concomitant with local iron displacements in the spin-ladder compound BaFe$_2$Se$_3$. Short-range magnetic correlations, present at room temperature, develop into long-range antiferromagnetic…
We present electronic structure calculations for the one-dimensional magnetic chain compounds Ca_3CoRhO_6 and Ca_3FeRhO_6. The calculations are based on density functional theory and the local density approximation. We use the augmented…
Many physical properties of high-temperature (high-Tc) superconductors are two-dimensional phenomena derived from their square planar CuO2 building blocks. This is especially true of the magnetism from the copper ions. As mobile charge…
The electronic and magnetic properties of transition metal oxyhalide compound Co2TeO3Cl2 is investigated using first principle calculations within the framework of density functional theory. In order to find underlying spin lattice of this…
The ability to tune the iron chalcogenides BaFe2Q3 from Mott insulators, to metals and then superconductors with applied pressure has renewed interest in low-dimensional iron chalcogenides and oxychalcogenides. We report here a combined…
The results of electronic structure calculations for the one-dimensional magnetic chain compound Ca3Co2O6 are presented. The calculations are based on density functional theory and the local density approximation and used the augmented…
We study the magnetic, structural, and electronic properties of the recently discovered iron- based superconductor BaFe2S3 based on density functional theory with the generalized gradient approximation. The calculations show that the…
The chain-like system Ba_{3}Cu_{3}Sc_4O_{12} has potentially interesting magnetic properties due to the presence of Cu^{2+} and a structure-suggested low-dimensionality. We present magnetization M versus magnetic field H and temperature T,…
Exploring the uncharacterized magnetic phases of Co$^{2+}$ chain compounds is critical for finding new low-dimensional magnets hosting quantized excitations. We map the unexplored magnetic phases of the Co$^{2+}$ chain compound…
The novel spin-chain cobalt oxide Sr5Pb3CoO12 [P-62m, a = 10.1093(2) A and c = 3.562 51(9) A at 295 K] is reported. Polycrystalline sample of the compound was studied by neutron diffraction (at 6 and 295 K) and magnetic susceptibility…
The iron-based superconductors had a significant impact on condensed matter physics. They have a common structural motif of a two-dimensional square iron lattice and exhibit fruitful physical properties as a strongly correlated electron…
Using thermodynamic measurements and density-functional band-structure calculations, we explore magnetic behavior of SrCuTe2O6. Despite being a structural sibling of a three-dimensional frustrated system PbCuTe2O6, this spin-1/2 quantum…
Electronic and magnetic structures of iron selenide compounds Ce2O2FeSe2 (2212\ast) and BaFe2Se3(123\ast) are studied by the first-principles calculations. We find that while all these compounds are composed of one-dimensional (1D) Fe chain…
We have investigated the structural and magnetic transitions in CsCoO$_2$ using calorimetric measurements, neutron powder diffraction (NPD), density functional theory (DFT) calculations and muon-spin relaxation ($\mu$SR) measurements.…
For cobalt atoms placed along chain structures in Ca3Co2O6, we investigate the spin exchange coupling between atoms in high spin states. Consistent with experimental findings, the coupling is weakly ferromagnetic.
The electronic and magnetic properties of the delafossite CuFeO2 are investigated by means of electronic structure calculations. They are performed using density functional theory in the generalized gradient approximation as well as the new…