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arXiv · 0708.3982

Atomic-charge distribution in glasses by terahertz spectroscopy

S. N. Taraskin·S. I. Simdyankin·S. R. Elliott
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Abstract

It is demonstrated that the width of the uncorrelated atomic-charge distribution in glasses can be extracted from the frequency dependence of the coupling coefficient for the far-infrared absorption measured experimentally by the time-domain terahertz spectroscopy technique. This value for As2S3 glass is found to be 0.12 (e). A density functional theory-based tight-binding molecular dynamics model of As2S3 glass qualitatively supports these findings.

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S. N. Taraskin, S. I. Simdyankin, S. R. Elliott. 2007-08-29. Atomic-charge distribution in glasses by terahertz spectroscopy. https://doi.org/10.1088/0953-8984%2F19%2F45%2F455216

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