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Abstract
The unified theoretical calculation of thermal shifts (TS) of R1 and R2 lines and thermal broadenings (TB) of R, R′ and B lines for ruby was carried out for the first time. The calculated results are in very good agreement with a great number of experimental data. Especially, by using quantum theory and taking into account all the admixtures of wavefunctions within d3 electronic configuration, all the ΓM in electron-phonon interaction (EPI), the electronic energy spectrum and lattice-vibration Spectrum, the very important contributions to TS and TB from single-phonon direct process were theoretically calculated in detail. The microscopic essentials of various contributions are revealed, and the mistakes in previous work are remedied.
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