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

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.

Keywords:

• bulk modulus
• equation of state
• phase transformation
• X-ray diffraction
• density functional theory
• double perovskite Sr₂CrReO₆

View correction statement:

Corrigendum

Acknowledgements

We thank HASYLAB-DESY for permission to use the synchrotron radiation facility. L.G. and J.S.O. gratefully acknowledge the financial support from the Danish Natural Sciences Research Council through DANSYNC.

Additional information

Notes on contributors

G. Vaitheeswaran

Present address: ACRHEM, University of Hyderabad, Hyderabad, Andhra Pradesh, India.