Octahedral tilting in Prussian blue analogues

Boström, HannaUppsala universitet,Oorganisk kemi,Max Planck Inst Solid State Res, Heisenbergstr 1, D-70569 Stuttgart, Germany. (författare)

Octahedral tilting is key to the structure and functionality of perovskites. We present a metastudy of published literature showing how these distortions manifest in the related Prussian blue analogues (PBAs): cyanide versions of double perovskites with formula AM[M '(CN)(6)](1-y)(y)center dot nH(2)O (A = alkali metal, M and M ' = transition metals, = vacancy/defect). Tilts are favoured by high values of x if A = Na or K, whereas the transition metals play a less important role. External hydrostatic pressure induces tilt transitions nearly irrespective of the stoichiometry, whereas thermal transitions are only reported for x > 1. Interstitial water can alter the transitions induced by a different stimulus, but (de)hydration per se does not lead to tilts. Finally, the implications for rational design of critical functionality-including improper ferroelectricity and electrochemical performance-are discussed. The results are integral for a fundamental understanding of phase transitions and for the development of functional materials based on PBAs.

Ingår i:Journal of Materials Chemistry C: Royal Society of Chemistry (RSC)10:37, s. 13690-136992050-75262050-7534

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