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- W1965610645 abstract "Jahn-Teller transition of ulvospinel ${text{Fe}}_{2}{text{TiO}}_{4}$ has been investigated by single-crystal x-ray diffraction study under high pressures up to 15 GPa at ambient temperature using synchrotron radiation and under the low-temperature condition down to $ensuremath{-}170text{ }ifmmode^circelsetextdegreefi{}text{C}$ at ambient pressure. The transition from cubic to tetragonal is induced from the tetragonal distortion due to the Jahn-Teller effect of ${text{Fe}}^{2+}$ at the tetrahedral site. The phase transition takes place at 9 GPa with increasing pressure at $20text{ }ifmmode^circelsetextdegreefi{}text{C}$ and the transition was found at $ensuremath{-}110text{ }ifmmode^circelsetextdegreefi{}text{C}$ and 1 atm. The $c/a$ ratio is 0.9982(4) at 11.43 GPa. On the other hand, the value is 1.0035(5) at $ensuremath{-}170text{ }ifmmode^circelsetextdegreefi{}text{C}$ and 1 atm. Degeneracy of $e$ orbit of ${^{text{IV}}text{F}text{e}}^{2+}$ is different between high-pressure and low-temperature conditions: the former prefers electronic state ${d}_{{x}^{2}text{ensuremath{-}}{y}^{2}}$ and the latter ${d}_{{z}^{2}}$ orbit in $e$ orbit. Difference Fourier maps on (100) and (001) planes of ${text{Fe}}_{2}{text{TiO}}_{4}$ reveal the electron density of $e$ electrons of ${^{text{IV}}text{F}text{e}}^{2+}$. Orthorhombic structure of ${text{Fe}}_{2}{text{TiO}}_{4}$ at 30 GPa determined by Rietveld method was ${text{CaTi}}_{2}{text{O}}_{4}$-type structure by powder-diffraction study. In addition, we found another new higher-pressure polymorph at 48 GPa." @default.
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- W1965610645 date "2009-10-22" @default.
- W1965610645 modified "2023-10-16" @default.
- W1965610645 title "Jahn-Teller transition ofFe2TiO4observed by maximum entropy method at high pressure and low temperature" @default.
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- W1965610645 doi "https://doi.org/10.1103/physrevb.80.134120" @default.
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