Communications in Theoretical Physics
The unified theoretical calculation of thermal shifts (TS) of R-1 and R-2 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 d(3) electronic configuration, all the Gamma M 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.
关键词:
diamond anvil cell;pressure measurement;spectroscopy;temperatures
