FOR 2125 "Structures, properties and reactions of carbonates at high pressures and temperatures" – CarboPaT

 

"Vibrational spectroscopy of carbonates at high P and T and deduced structural and thermodynamic properties"

The scientific aim of this project is to determine the phase stability of carbonates at pressures (P) up to 60 GPa and temperatures (T) up to 800 K by vibrational (FTIR- and Raman-) spectroscopy in internally heated diamond anvil cells (DAC-HT). Complementary electronic structure calculations in the framework of density-functional theory (DFT) will be performed to link the atomic and electronic structure of the respective carbonates to their vibrational and thermodynamic properties. We will investigate phase transitions of the carbonate endmembers CaCO3, FeCO3, CaMg(CO3)2 and SrCO3 as well as magnesite-siderite solid solutions.  

 

Vibrational characteristics of the CaCO3 polymorphs a) Raman spectra from 75 to 500cm-1 b) Raman spectra from 1000 to 1200cm-1 c) mid infrared spectra d) far infrared spectra. Figures denote pressure in GPa; the spectra are offset for clarity.

Contact

Funding

DFG - German Research Foundation

Status

Current

Cooperation

Prof. Sandro Jahn

Universität Köln