Sc-doped diopside, ab-initio modeling, ab-initio molecular dynamics, vibrational density of states, partial vibrational density of states, Raman, IR.
Sc-doped diopside, ab-initio modeling, ab-initio moleculardynamics, vibrational density of states, partial vibrational density of states, Raman Spectroscopy, IR spectroscopy, vibrational analysis