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Elastic Properties of Calcium Oxide Perovskites

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Abstract

The equations of state and axial moduli of the CaBO3 perovskites (B=Zr,Sn,Ti,Ge) and CaFeO2.5 with the brownmillerite structure have been determined using high-pressure, singlecrystal X-ray diffraction. The bulk modulus-specific volume relationship for the Ca-perovskites is nonlinear, with CaSnO3 and CaZrO3 displaying anomalous stiffening (higher bulk moduli) than previously reported and predicted [1,2]. The axial moduli of the a- and c-axes decrease steadily by ~30% from the least-distorted of the Pbnm perovskites, CaGeO3, to the most distorted, CaZrO3, while the b-axis shows little change. The net result is a threefold increase in the anisotropy of the axial moduli of CaSnO3 and CaZrO3 (~21%) relative to CaGeO3 and CaTiO3 (~4-8%). The bulk modulus of CaFeO2.5 falls significantly below the trend for the stoichiometric perovskites. The introduction of 1/6 vacancies on the oxygen positions softens the perovskite structure by 25%.

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Authors and Affiliations

  1. Department of Geological Sciences, Virginia Polytechnic Institute & State University, Blacksburg, VA, 24061, USA

    Nancy L. Ross & Ross J. Angel

  2. Department of Geosciences, State University of New York, Stony Brook, NY, 11794, USA

    Jennifer Kung

  3. Department of Chemistry, University College London, Gower Street, London, WC1E 6BT, UK

    Tracey D. Chaplin

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  1. Nancy L. Ross
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  2. Ross J. Angel
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  3. Jennifer Kung
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  4. Tracey D. Chaplin
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Ross, N.L., Angel, R.J., Kung, J. et al. Elastic Properties of Calcium Oxide Perovskites. MRS Online Proceedings Library 718, 24 (2002). https://doi.org/10.1557/PROC-718-D2.4

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  • DOI: https://doi.org/10.1557/PROC-718-D2.4

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