@article{a4e32e3924844abba2e68abc63ca5741,
title = "A Pressure-Induced Inverse Order–Disorder Transition in Double Perovskites",
abstract = "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.",
keywords = "double perovskites, lattice compression, magnetic frustration, pressure-induced B-site disorder, statistical model",
author = "Zheng Deng and Kang, {Chang Jong} and Mark Croft and Wenmin Li and Xi Shen and Jianfa Zhao and Richeng Yu and Changqing Jin and Gabriel Kotliar and Sizhan Liu and Tyson, {Trevor A.} and Ryan Tappero and Martha Greenblatt",
note = "Funding Information: The authors wish to gratefully acknowledge D. Walker, X.-H. Xu, F.-X. Jiang, X. Li, and J.-G. Cheng for helpful discussions. C.-J.K., G.K., and M.G. were supported by the U. S. Department of Energy, Office of Science, Basic Energy Science as a part of the Computational Materials Science Program through the Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy. M.G. also acknowledges support of NSF-DMR-1507252 grant. Regarding the experiments at the Brookhaven National Synchrotron Light Source (NSLS-II): the support under DOE BES(DE-SC0012704) and NSF Grant DMR-1809931 are acknowledged; and the authors also gratefully acknowledge the aid of S. Ehrlich and S. Khalid. Works at IOPCAS were supported by MOST (No. 2018YFA03057001 and 2017YFB0405703) & NSF (No. 11921004, 11820101003, 11534016, and 11974407) of China through research projects. Z.D. also acknowledges support of the Youth Innovation Promotion Association of CAS (No. 2020007). Funding Information: The authors wish to gratefully acknowledge D. Walker, X.‐H. Xu, F.‐X. Jiang, X. Li, and J.‐G. Cheng for helpful discussions. C.‐J.K., G.K., and M.G. were supported by the U. S. Department of Energy, Office of Science, Basic Energy Science as a part of the Computational Materials Science Program through the Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy. M.G. also acknowledges support of NSF‐DMR‐1507252 grant. Regarding the experiments at the Brookhaven National Synchrotron Light Source (NSLS‐II): the support under DOE BES(DE‐SC0012704) and NSF Grant DMR‐1809931 are acknowledged; and the authors also gratefully acknowledge the aid of S. Ehrlich and S. Khalid. Works at IOPCAS were supported by MOST (No. 2018YFA03057001 and 2017YFB0405703) & NSF (No. 11921004, 11820101003, 11534016, and 11974407) of China through research projects. Z.D. also acknowledges support of the Youth Innovation Promotion Association of CAS (No. 2020007). Publisher Copyright: {\textcopyright} 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim",
year = "2020",
month = may,
day = "18",
doi = "10.1002/anie.202001922",
language = "English (US)",
volume = "59",
pages = "8240--8246",
journal = "Angewandte Chemie - International Edition",
issn = "1433-7851",
publisher = "John Wiley and Sons Ltd",
number = "21",
}