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- W2613794232 abstract "We prepared trirutile-type polycrystalline samples of CuTa2O6 by low-temperature decomposition of a Cu-Ta-oxalate precursor. Diffraction studies at room temperature identified a slight monoclinic distortion of the hitherto surmised tetragonal trirutile crystal structure. Detailed high-temperature X-ray and neutron powder diffraction investigations as well as Raman scattering spectroscopy revealed a structural phase transition at 503(3) K from the monoclinic structure to the tetragonal trirutile structure. GGA+U density functional calculations of the spin-exchange parameters as well as magnetic susceptibility and isothermal magnetization measurements reveal that CuTa2O6 is a new 1D Heisenberg magnet with predominant anti-ferromagnetic nearest-neighbor intrachain spin-exchange interaction of ∼50 K. Interchain exchange is a factor of ∼5 smaller. Heat capacity and low-temperature high-intensity neutron powder diffraction studies could not detect long-range order down to 0.45 K." @default.
- W2613794232 created "2017-05-19" @default.
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- W2613794232 date "2017-05-08" @default.
- W2613794232 modified "2023-09-27" @default.
- W2613794232 title "Structural and Magnetic Properties of the Trirutile-type 1D-Heisenberg Anti-Ferromagnet CuTa<sub>2</sub>O<sub>6</sub>" @default.
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- W2613794232 doi "https://doi.org/10.1021/acs.inorgchem.7b00421" @default.
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