The Origin of Magnetic Interactions in Ca3Co2O6

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 alignment of the S=2 spins on the cobalt sites with trigonal prismatic symmetry, for a sufficiently strong Hund's rule coupling on the cobalt ions. The exchange is mediated through a S=0 cobalt ion at the octahedral sites of the chain structure. We present a strong coupling evaluation of the Heisenberg coupling between the S=2 Co spins on a separate chain. The chains are coupled antiferromagnetically through super-superexchange via short O-O bonds.Comment: 5 Pages, 3 Figures; added anisotropy term in eq. 9; extended discussion of phase transitio

Cyclotron effective masses in layered metals

Many layered metals such as quasi-two-dimensional organic molecular crystals show properties consistent with a Fermi liquid description at low temperatures. The effective masses extracted from the temperature dependence of the magnetic oscillations observed in these materials are in the range, m^*_c/m_e \sim 1-7, suggesting that these systems are strongly correlated. However, the ratio m^*_c/m_e contains both the renormalization due to the electron-electron interaction and the periodic potential of the lattice. We show that for any quasi-two-dimensional band structure, the cyclotron mass is proportional to the density of states at the Fermi energy. Due to Luttinger's theorem, this result is also valid in the presence of interactions. We then evaluate m_c for several model band structures for the \beta, \kappa, and \theta families of (BEDT-TTF)_2X, where BEDT-TTF is bis-(ethylenedithia-tetrathiafulvalene) and X is an anion. We find that for \kappa-(BEDT-TTF)_2X, the cyclotron mass of the \beta-orbit, m^{*\beta}_c, is close to 2 m^{*\alpha}_c, where m^{*\alpha}_c is the effective mass of the \alpha- orbit. This result is fairly insensitive to the band structure details. For a wide range of materials we compare values of the cyclotron mass deduced from band structure calculations to values deduced from measurements of magnetic oscillations and the specific heat coefficient.Comment: 12 pages, 3 eps figure

Sr2V3O9 and Ba2V3O9: quasi one-dimensional spin-systems with an anomalous low temperature susceptibility

The magnetic behaviour of the low-dimensional Vanadium-oxides Sr2V3O9 and Ba2V3O9 was investigated by means of magnetic susceptibility and specific heat measurements. In both compounds, the results can be very well described by an S=1/2 Heisenberg antiferromagnetic chain with an intrachain exchange of J = 82 K and J = 94 K in Sr2V3O9 and Ba2V3O9, respectively. In Sr2V3O9, antiferromagnetic ordering at T_N = 5.3 K indicate a weak interchain exchange of the order of J_perp ~ 2 K. In contrast, no evidence for magnetic order was found in Ba2V3O9 down to 0.5 K, pointing to an even smaller interchain coupling. In both compounds, we observe a pronounced Curie-like increase of the susceptibility below 30 K, which we tentatively attribute to a staggered field effect induced by the applied magnetic field. Results of LDA calculations support the quasi one-dimensional character and indicate that in Sr2V3O9, the magnetic chain is perpendicular to the structural one with the magnetic exchange being transferred through VO4 tetrahedra.Comment: Submitted to Phy. Rev.

Magnetism of the Fe2+ and Ce3+ sublattices in Ce2O2FeSe2: A combined neutron powder diffraction, inelastic neutron scattering, and density functional study

The discovery of superconductivity in the 122 iron selenide materials above 30 K necessitates an understanding of the underlying magnetic interactions. We present a combined experimental and theoretical investigation of magnetic and semiconducting Ce 2 O 2 FeSe 2 composed of chains of edge-linked iron selenide tetrahedra. The combined neutron diffraction and inelastic scattering study and density functional calculations confirm the ferromagnetic nature of nearest-neighbor Fe-Se-Fe interactions in the ZrCuSiAs-related iron oxyselenide Ce 2 O 2 FeSe 2 . Inelastic measurements provide an estimate of the strength of nearest-neighbor Fe-Fe and Fe-Ce interactions. These are consistent with density functional theory calculations, which reveal that correlations in the Fe-Se sheets of Ce 2 O 2 FeSe 2 are weak. The Fe on-site repulsion U Fe is comparable to that reported for oxyarsenides and K 1−x Fe 2−y Se 2 , which are parents to iron-based superconductors

Electron paramagnetic resonance in the quasi-two dimensional magnetic ludwigite Fe3_3O2_2BO3_3

We report an EPR study of the quasi-two dimensional oxide Fe$_3$O$_2$BO$_3$ which shows a structural transition at 283 K, an antiferromagnetic transition at 112K and weak ferromagnetism below 73 K. The single crystals show three strongly anisotropic lines with different temperature dependences of their widths and resonance fields. The results are discussed in relation with the different phase transitions and with the Wigner glass phase which appears between ~112 K and ~200 K

Across the structural re-entrant transition in BaFe₂(PO₄)₂: influence of the two-dimensional ferromagnetism

BaFe2(PO4)2 was recently prepared by hydrothermal synthesis and identified as the first two-dimensional (2D) Ising ferromagnetic oxide, in which honeycomb layers made up of edge-sharing FeO6 octahedra containing high-spin Fe2+ ions (S = 2) are isolated by PO4 groups and Ba2+ cations. BaFe2(PO4)2 has a trigonal R-3 structure at room temperature but adopts a triclinic P-1 structure below 140 K due to the Jahn-Teller (JT) instability arising from the (t2g)4(eg)2 configuration. The triclinic crystal structure was refined to find significantly distorted Fe2+O6 octahedra in the honeycomb layers while the distortion amplitude QJT was estimated to 0.019 Å. The JT stabilization energy is estimated to be 7 meV per formula unit by DFT calculations. Below 70 K, very close to the ferromagnetic transition temperature Tc = 65.5 K, the structure of BaFe2(PO4)2 returns to a trigonal R-3 structure in the presence of significant ferromagnetic domains. This rare re-entrant structural transition is accompanied by a discontinuous change in the quadrupolar splitting of Fe2+, as determined by Mössbauer spectroscopy. EPR measurements show the presence of magnetic domains well above Tc , as expected for a ferromagnetic 2D Ising system, and support that the magnetism of BaFe2(PO4)2 is uniaxial (g⊥ = 0)

Across the structural re-entrant transition in BaFe₂(PO₄)₂: influence of the two-dimensional ferromagnetism

BaFe2(PO4)2 was recently prepared by hydrothermal synthesis and identified as the first two-dimensional (2D) Ising ferromagnetic oxide, in which honeycomb layers made up of edge-sharing FeO6 octahedra containing high-spin Fe2+ ions (S = 2) are isolated by PO4 groups and Ba2+ cations. BaFe2(PO4)2 has a trigonal R-3 structure at room temperature but adopts a triclinic P-1 structure below 140 K due to the Jahn-Teller (JT) instability arising from the (t2g)4(eg)2 configuration. The triclinic crystal structure was refined to find significantly distorted Fe2+O6 octahedra in the honeycomb layers while the distortion amplitude QJT was estimated to 0.019 Å. The JT stabilization energy is estimated to be 7 meV per formula unit by DFT calculations. Below 70 K, very close to the ferromagnetic transition temperature Tc = 65.5 K, the structure of BaFe2(PO4)2 returns to a trigonal R-3 structure in the presence of significant ferromagnetic domains. This rare re-entrant structural transition is accompanied by a discontinuous change in the quadrupolar splitting of Fe2+, as determined by Mössbauer spectroscopy. EPR measurements show the presence of magnetic domains well above Tc , as expected for a ferromagnetic 2D Ising system, and support that the magnetism of BaFe2(PO4)2 is uniaxial (g⊥ = 0)

Structure and magnetic properties of oxychalcogenides A(2)F(2)Fe(2)OQ(2) (A = sr, ba; Q = s, se) with Fe2O square planar layers representing an antiferromagnetic checkerboard spin lattice

International audienc