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  • 1
    Electronic Resource
    Electronic Resource
    Nonstoichiometry in A2B2O7 Pyrochlores (2002)
    Westerville, Ohio : American Ceramics Society
    Journal of the American Ceramic Society 85 (2002), S. 0 
    Details
    ISSN: 1551-2916
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Energies associated with deviations from stoichiometry for an extensive series of A2B2O7 pyrochlores have been predicted. A3+ cations range in size from Lu to La and B4+ cations from Ti to Pb. Results are presented in the form of contour maps as a means of conveying large quantities of data as well as predicting characteristics for pyrochlore compounds not explicitly modeled. These contour maps indicate that the BO2 excess nonstoichiometry in the pyrochlore structure is distinct from solid-solution fluorite. Within the limitations of this methodology, the contour maps provide a means to understand and predict distinct compositional variations. Defect cluster formation is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1151-2916.2002.tb00530.x
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  • 2
    Electronic Resource
    Electronic Resource
    Disorder in Pyrochlore Oxides (2000)
    Westerville, Ohio : American Ceramics Society
    Journal of the American Ceramic Society 83 (2000), S. 0 
    Details
    ISSN: 1551-2916
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Contour plots of disorder reaction energies across a wide variety of A2B2O7 pyrochlore oxides have been produced, using atomistic simulation calculations based on energy-minimization techniques. The cations studied range from Lu3+ to La3+ on the A site and from Ti4+ to Ce4+ on the B site. The present results relate the experimentally observed stability range of the pyrochlore structure to A and B cation size and disorder. Disorder enthalpies decrease dramatically with increasing B cation size, while the rate of increase with A cation size depends markedly on the particular B cation. The association of anion Frenkel and cation antisite disorders is found to be of importance.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1151-2916.2000.tb01484.x
    Library Location Call Number Volume/Issue/Year Availability
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    Paper (German National Licenses)
    Fulltext
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