Estimation of the infrared absorption of ZnCl2–KBr glass by molecular dynamics

Abstract

Molecular dynamic calculations have been made on glasses in the ZnCl2–KBr system in order to estimate the infrared (IR) absorption of these glasses. Oxygen-free glass was estimated to be transparent up to 25 μm. Glasses containing oxygen impurities were estimated to be transparent only up to 16 μm, with a weak absorption band around 10.4 μm. This agrees with experimental results of glasses in the ZnCl2–KBr–PbBr2 system.

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Correspondence to Satoru Inoue.

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Inoue, S., Tamaki, M., Kawazoe, H. et al. Estimation of the infrared absorption of ZnCl2–KBr glass by molecular dynamics. Journal of Materials Research 2, 357–360 (1987). https://doi.org/10.1557/JMR.1987.0357

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