Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 59, Issue 21, Pages 8240-8246Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.202001922
Keywords
double perovskites; lattice compression; magnetic frustration; pressure-induced B-site disorder; statistical model
Categories
Funding
- U. S. Department of Energy, Office of Science, Basic Energy Science, Computational Materials Science Program through the Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy
- DOE BES [DE-SC0012704]
- NSF [DMR-1809931]
- MOST [2018YFA03057001, 2017YFB0405703]
- NSF of China [11921004, 11820101003, 11534016, 11974407]
- Youth Innovation Promotion Association of CAS [2020007]
- [NSF-DMR-1507252]
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Given the consensus that pressure improves cation ordering in most of known materials, a discovery of pressure-induced disordering could require recognition of an order-disorder transition in solid-state physics/chemistry and geophysics. Double perovskites Y2CoIrO6 and Y2CoRuO6 polymorphs synthesized at 0, 6, and 15 GPa show B-site ordering, partial ordering, and disordering, respectively, accompanied by lattice compression and crystal structure alteration from monoclinic to orthorhombic symmetry. Correspondingly, the long-range ferrimagnetic ordering in the B-site ordered samples are gradually overwhelmed by B-site disorder. Theoretical calculations suggest that unusual unit-cell compressions under external pressures unexpectedly stabilize the disordered phases of Y2CoIrO6 and Y2CoRuO6.
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