What is it about?
A great deal of data has been amassed on the changes in crystal structure of perovskite compounds (ABX3) brought about by raising the temperature or hydrostatic pressure, or by changing the chemical composition. These data are brought into a coherent whole by means of some novel modelling techniques.
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Why is it important?
Many thousands of researchers worldwide are involved in technological research and development that exploits synthetic perovskite compounds. Although much of the associated work on compositional development is empirically led, this paper shows how all the structural trends in perovskites with centrosymmetric structures can be rationalized and predicted by taking crystal structural data fully into account. The modelling techniques used have been made available as an EXCEL file in the supplementary material.
Read the Original
This page is a summary of: Phase transitions and (p–T–X) behaviour of centrosymmetric perovskites: modelling with transformed crystallographic data, Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, January 2022, International Union of Crystallography, DOI: 10.1107/s2052520621012713.
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