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Structural phase transition determined from the Bragg angle versus ionization energy plot

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Abstract

We present here an unexpected relationship to predict the structural phase transition directly and unambiguously from the Bragg angle versus ionization energy plot. We first expose the changes to the F-band optical absorption energy peak in alkali halides so as to justify why the Bragg angle (2\(\theta\)) versus ionization energy plots for both anions and cations can be used to detect structural phase transition during substitutional doping or systematic changes to chemical composition. In principle, this plot can be extended to predict structural phase transition for all types of solid via doping, which includes cuprates, manganites, topological insulators and cathode materials used in lithium-ion batteries, but, unfortunately, not Fermi metals. The said plot can be implemented in all X-ray diffractometers as an additional feature to predict structural phase transition.

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Acknowledgements

This work was supported by Sebastiammal Savarimuthu and the late Arulsamy Innasimuthu (1941–2017).

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  1. Condensed Matter Group, Institute of Interdisciplinary Science, No. 24, Level-4, Block-C, Lorong Bahagia, Pandamaran, 42000, Port Klang, Selangor DE, Malaysia

    A D Arulsamy

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  1. A D Arulsamy
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Correspondence to A D Arulsamy.

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Arulsamy, A.D. Structural phase transition determined from the Bragg angle versus ionization energy plot. Indian J Phys 94, 391–396 (2020). https://doi.org/10.1007/s12648-019-01454-2

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