화학공학소재연구정보센터
Journal of Chemical Physics, Vol.109, No.18, 8003-8009, 1998
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.