What is needed here is the phonon spectrum of the material.
The physics of light transport in a material is not trivial, and it is dealt with in solid state/condensed matter physics. In fact, the use of optical spectra in the study of material is a well-established area of study within this field of physics. Many optical diagnostics such as Raman, UV-VIS, FTIR, etc. use the properties of light transport in solids to extra information such as the phonon structure of the material. The optical mode of the phonon structure, for example, greatly influences light transport in that material, often producing significant characteristics such as transparency, penetration depth, absorption bandwidth, etc.
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