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 B0=1704GPa and the pressure derivative is B0'=4.71.0. These results compare well with the calculated values 172.6GPa 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.
Original language | English |
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Journal | High Pressure Research |
Volume | 29 |
Issue number | 1 |
Pages (from-to) | 83-86 |
ISSN | 0895-7959 |
DOIs | |
Publication status | Published - 2009 |
Keywords
- equation of state
- double perovskite Sr2CrReO6
- density functional theory
- phase transformation
- bulk modulus
- X-ray diffraction