Phase transitions and amorphization of M2AgF4 (M = Na, K, Rb) compounds at high pressure

Jakub Gawraczynski; Łukasz Wolanski; Adam Grzelak; Zoran Mazej; Viktor V. Struzhkin; Wojciech Grochala

doi:10.3390/cryst12040458

Phase transitions and amorphization of M2AgF4 (M = Na, K, Rb) compounds at high pressure

Materials Science 2022-03-28 v1 Strongly Correlated Electrons

Authors: Jakub Gawraczynski , Łukasz Wolanski , Adam Grzelak , Zoran Mazej , Viktor V. Struzhkin , Wojciech Grochala

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Abstract

We report the results of Raman spectroscopy high-pressure studies of alkali metal fluoroargentates (M2AgF4, where M=Na, K, Rb) associated with theoretical and x-ray diffraction studies for the K member of the series. Theoretical density functional calculations predict two structural phase transitions for K2AgF4: one from low pressure monoclinic P21/c (beta) phase to intermediate-pressure tetragonal I4!2d structure at 6 GPa, and another to high-pressure triclinic P1! phase at 58 GPa. However, Raman spectroscopy and X-ray diffraction data indicate that both polymorphic forms of K2AgF4 as well as two other fluoroargentate phases studied undergo amorphization at pressure as low as several GPa.

Keywords

high pressure phase transition amorphization M2AgF4 fluoroargentates raman spectroscopy density functional theory

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@article{arxiv.2202.00363,
  title  = {Phase transitions and amorphization of M2AgF4 (M = Na, K, Rb) compounds at high pressure},
  author = {Jakub Gawraczynski and Łukasz Wolanski and Adam Grzelak and Zoran Mazej and Viktor V. Struzhkin and Wojciech Grochala},
  journal= {arXiv preprint arXiv:2202.00363},
  year   = {2022}
}

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12 pages, 4 figures, plus electronic supplement

Phase transitions and amorphization of M2AgF4 (M = Na, K, Rb) compounds at high pressure

Abstract

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