4.8 Article

A Pressure-Induced Inverse Order-Disorder Transition in Double Perovskites

Journal

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 59, Issue 21, Pages 8240-8246

Publisher

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

Funding

  1. 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
  2. DOE BES [DE-SC0012704]
  3. NSF [DMR-1809931]
  4. MOST [2018YFA03057001, 2017YFB0405703]
  5. NSF of China [11921004, 11820101003, 11534016, 11974407]
  6. Youth Innovation Promotion Association of CAS [2020007]
  7. [NSF-DMR-1507252]

Ask authors/readers for more resources

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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