Study on the color mechanism of amethyst after heat treatment and first-principle calculation
Source abstract
Abstract
Natural amethyst was heat-treated to explore the impact of different valence states of impurity iron elements in the quartz lattice structure on its color. After heating, the color of amethyst turns colorless and yellow. The Ultraviolet and visible (UV–Vis) spectrometer, X-ray diffractometer (XRD), X-ray photoelectron spectrometer (XPS) and Electron paramagnetic resonance (EPR) spectrometer were used to analyze the visible absorption spectrum, crystal structure, iron ions valence state and oxygen type of amethyst. Based on the findings of the experiment, the energy band structure, density of states and optical absorption of Fe-doped α-SiO2 with different valence states were evaluated by the first-principles method to analyze the reason for the color change of amethyst theoretically. The study found that the color change of amethyst is related to the valence transition of iron ions and the existence of Fe4+ has an important effect in imparting purple color to the quartz.
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Research context
OpenAlex topics: Mineralogy and Gemology Studies · Cultural Heritage Materials Analysis · Iron oxide chemistry and applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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