P

M

PRENCIPE , Mauro

Last name: PRENCIPE

First name: Mauro

2017 (v1)

Publication

Metadata-only

Ab initio study of the dolomite to dolomite-II high-pressure phase transition

Zucchini, Azzurra Prencipe, Mauro BELMONTE, DONATO

Ab initio calculations were performed on ordered and disordered dolomite and dolomite-II crystal structures. The mechanism for the dolomite to dolomite-II phase transition was investigated by the calculation of vibrational frequencies. In particular, a soft mode was observed at the F point of the rhombohedral Brillouin zone, whose frequency...

Uploaded on: March 27, 2023