Microscopic origin of the high-pressure-induced spectral shifts in ruby

A microscopic model for the high-pressure-induced spectral shifts in ruby was developed based on both the exact microscopic complete energy matrix diagonalization procedure and an approximately equivalent self-consistent-held d-orbital model. The calculated results are in good agreement with the experimental data up to 1650 kbar. The predicted high-pressure-induced shifts of the optical and electron paramagnetic spectra can be tested by further measurements. (C) 1998 American Institute of Physics. [S0021-9606(98)01933-3]