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High-pressure structural behavior of the double perovskite Sr2CrReO6: an experimental and theoretical study

Olsen, J. Staun and Gerward, L. and Vaitheeswaran, G. and Kanchana, V. and Alff, L. (2009):
High-pressure structural behavior of the double perovskite Sr2CrReO6: an experimental and theoretical study.
In: High Pressure Research, Taylor & Francis, pp. 83-86, 29, (1), ISSN 0895-7959,
[Online-Edition: http://dx.doi.org/10.1080/08957950802429045],
[Article]

Abstract

The high-pressure structural behavior of Sr2CrReO6 has been studied experimentally using synchrotron radiation and the diamond anvil cell and theoretically using density functional theory. The experimental zero-pressure bulk modulus is B 0=170±4 GPa and the pressure derivative is B 0′=4.7±1.0. These results compare well with the calculated values 172.6 GPa and 5.7. A pseudo-cubic unit cell can describe the crystal structure at low pressure, but the tetragonal structure becomes evident at high pressure.

Item Type: Article
Erschienen: 2009
Creators: Olsen, J. Staun and Gerward, L. and Vaitheeswaran, G. and Kanchana, V. and Alff, L.
Title: High-pressure structural behavior of the double perovskite Sr2CrReO6: an experimental and theoretical study
Language: English
Abstract:

The high-pressure structural behavior of Sr2CrReO6 has been studied experimentally using synchrotron radiation and the diamond anvil cell and theoretically using density functional theory. The experimental zero-pressure bulk modulus is B 0=170±4 GPa and the pressure derivative is B 0′=4.7±1.0. These results compare well with the calculated values 172.6 GPa and 5.7. A pseudo-cubic unit cell can describe the crystal structure at low pressure, but the tetragonal structure becomes evident at high pressure.

Journal or Publication Title: High Pressure Research
Volume: 29
Number: 1
Publisher: Taylor & Francis
Uncontrolled Keywords: bulk modulus, equation of state, phase transformation, X-ray diffraction, density functional theory, double perovskite Sr2CrReO6
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Advanced Thin Film Technology
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences
Date Deposited: 30 Mar 2012 08:17
Official URL: http://dx.doi.org/10.1080/08957950802429045
Identification Number: doi:10.1080/08957950802429045
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