Bulk modulus of CeO < inf > 2 < /inf > and PrO < inf > 2 < /inf > - An experimental and theoretical study
Bulk modulus of CeO < inf > 2 < /inf > and PrO < inf > 2 < /inf > - An experimental and theoretical study
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Date
2005-09-01
Authors
Gerward, L.
Staun Olsen, J.
Petit, L.
Vaitheeswaran, G.
Kanchana, V.
Svane, A.
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Abstract
The high-pressure structural behaviour of CeO2 and PrO 2 has been investigated by synchrotron X-ray diffraction at pressures up to 20 and 35 GPa, respectively. The experiments are accompanied by first principles calculations using the self-interaction corrected local spin density (SIC-LSD) approximation. The experimental values for the zero-pressure bulk modulus of CeO2 and PrO2 are 220(9) and 187(8) GPa, respectively. Our calculations reproduce the lattice constants with good accuracy, but find identical bulk modulii for CeO2 (176.9 GPa) and PrO2 (176.8 GPa). © 2005 Elsevier B.V. All rights reserved.
Description
Keywords
Crystal binding and equation of state,
Electron band calculation,
High pressure,
Synchrotron radiation,
X-ray diffraction
Citation
Journal of Alloys and Compounds. v.400(1-2)