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Issue 31, 2010
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Structural and electronic trends in rare-earth technetate pyrochlores

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Abstract

We report the structures and electronic properties of nine novel rare earth technetate pyrochlores with ideal stoichiometry Ln2Tc2O7 (Ln = Ce–Pm, Gd, Tb, Ho, Tm, Lu) predicted within the framework of gradient-corrected density functional theory. The computed structures of Er2Tc2O7, Dy2Tc2O7, and Sm2Tc2O7 also closely match available X-ray diffraction data.

Graphical abstract: Structural and electronic trends in rare-earth technetate pyrochlores

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Publication details

The article was received on 27 Mar 2010, accepted on 03 Jun 2010 and first published on 22 Jun 2010


Article type: Communication
DOI: 10.1039/C0DT00212G
Citation: Dalton Trans., 2010,39, 7207-7210
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    Structural and electronic trends in rare-earth technetate pyrochlores

    P. F. Weck, E. Kim, F. Poineau, E. E. Rodriguez, A. P. Sattelberger and K. R. Czerwinski, Dalton Trans., 2010, 39, 7207
    DOI: 10.1039/C0DT00212G

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