97 research outputs found
Metal insulator transition in TlSr2CoO5 from orbital degeneracy and spin disproportionation
To describe the metal insulator transition in the new oxide TlSr2CoO5 we
investigate its electronic structure by LDA and model Hartree-Fock
calculations. Within LDA we find a homogeneous metallic and ferromagnetic
ground state, but when including the Coulomb interaction more explicitly within
the Hartree-Fock approximation, we find an insulating state of lower energy
with both spin and orbital order. We also interpret our results in terms of a
simple model.Comment: 8 pages, 9 figure
Collective effects in spin-crossover chains with exchange interaction
The collective properties of spin-crossover chains are studied.
Spin-crossover compounds contain ions with a low-spin ground state and low
lying high-spin excited states and are of interest for molecular memory
applications. Some of them naturally form one-dimensional chains. Elastic
interaction and Ising exchange interaction are taken into account. The
transfer-matrix approach is used to calculate the partition function, the
fraction of ions in the high-spin state, the magnetization, susceptibility,
etc., exactly. The high-spin-low-spin degree of freedom leads to collective
effects not present in simple spin chains. The ground-state phase diagram is
mapped out and compared to the case with Heisenberg exchange interaction. The
various phases give rise to characteristic behavior at nonzero temperatures,
including sharp crossovers between low- and high-temperature regimes. A
Curie-Weiss law for the susceptibility is derived and the paramagnetic Curie
temperature is calculated. Possible experiments to determine the exchange
coupling are discussed.Comment: 9 pages, 13 color figures, published versio
Evidence for a Low-Spin to Intermediate-Spin State Transition in LaCoO3
We present measurements of the magnetic susceptibility and of the thermal
expansion of a LaCoO single crystal. Both quantities show a strongly
anomalous temperature dependence. Our data are consistently described in terms
of a spin-state transition of the Co ions with increasing temperature
from a low-spin ground state to an intermediate-spin state without (100K -
500K) and with (>500K) orbital degeneracy. We attribute the lack of orbital
degeneracy up to 500K to (probably local) Jahn-Teller distortions of the
CoO octahedra. A strong reduction or disappearance of the Jahn-Teller
distortions seems to arise from the insulator-to-metal transition around 500 K.Comment: an error in the scaling factor of Eq.(4) and consequently 2 values of
table I have been corrected. The conclusions of the paper remain unchanged.
See also: C. Zobel et al. Phys. Rev. B 71, 019902 (2005) and J. Baier et al.
Phys. Rev. B 71, 014443 (2005
Hydrothermal Synthesis of Delafossite-Type Oxides
The syntheses of copper and silver delafossite-type oxides from their constituent binary metal oxides, oxide hydroxides and hydroxides, by low temperature (<210 °C) and low pressure (<20 atm) hydrothermal reactions are described. Particular emphasis is placed on how the acid-base character of a constituent oxide determines its solubility and therefore whether a particular delafossite-type oxide can be synthesized, a strategy utilized by geologists and mineralogists to understand the conditions necessary for the synthesis of various minerals. Thus, the geochemical and corrosion science literature are shown to be useful in understanding the reaction conditions required for the syntheses of delafossite-type oxides and the relationship between reactant metal oxide acid-base character, solubility, aqueous speciation, and product
formation. Manipulation of the key parameters, temperature, pressure, pH, and reactant solubility, results in broad families of phase-pure delafossite-type oxides in moderate to high yields for copper, CuBO2 (B) Al, Sc, Cr, Mn, Fe, Co, Ga, and Rh), and silver, AgBO2 (B ) Al, Sc, Fe, Co, Ni, Ga, Rh, In, and Tl)
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