High pressure behavior of otavite (CdCo3)

Journal Article · Tue Aug 24 04:00:00 EDT 2010 · Journal of Alloys and Compounds

DOI:https://doi.org/10.1016/j.jallcom.2010.08.090· OSTI ID:1004632

Minch, R; Ehm, L; Seoung, D H; Winkler, B; Knorr, K; Peters, L; Borkowski, L A; Parise, J B; Lee, Y; Dubrovinsky, L; Depmeier, W

The high-pressure, room temperature behavior of otavite (CdCO{sub 3}) was investigated by angle-dispersive synchrotron radiation powder diffraction up to 40 GPa, Raman spectroscopy up to 23 GPa and quantum mechanical calculations based on density functional theory. The calcite-type structure of CdCO{sub 3} is stable up to at least {approx}19 GPa as shown by Raman spectroscopy. The compression mechanism was obtained from structure refinements against the diffraction data. The quantum mechanical calculations propose a calcite-aragonite phase transition to occur at about 30 GPa. The existence of a pressure-induced phase transition is supported by the Raman and diffraction experiments. Evidence for the transformation is given by broadening of X-ray reflections and external Raman bands starting from about 19 GPa in both experiments.

• Research Organization: BROOKHAVEN NATIONAL LABORATORY (BNL)
• Sponsoring Organization: DOE - Office Of Science
• DOE Contract Number: AC02-98CH10886
• OSTI ID: 1004632
• Report Number(s): BNL--94556-2011-JA
• Journal Information: Journal of Alloys and Compounds, Journal Name: Journal of Alloys and Compounds Journal Issue: 2 Vol. 508; ISSN 0925-8388; ISSN JALCEU
• Country of Publication: United States
• Language: English

Related Subjects

43 PARTICLE ACCELERATORS
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
COMPRESSION
DIFFRACTION
FUNCTIONALS
RAMAN SPECTROSCOPY
SYNCHROTRON RADIATION
TRANSFORMATIONS