Raman Spectroscopic Studies of Pyrite at High Pressure and High Temperature

Variations in the Raman spectra of pyrite were studied from 113 to 853 K at room pressure with a Linkam heating and freezing stage, and for 297-513 K and pressures up to 1.9 GPa with a hydrothermal diamond anvil cell. All observed frequencies decreased continuously with an increase in temperatures up to 653 K at ambient pressure. Hematite began to form at 653 K, all pyrite had transformed to hematite (H) at 688 K, and the hematite melted at 853 K. An increase in temperature at every initial pressure (group 1: 0.5 GPa, group 2: 1.1 GPa, group 3: 1.7 GPa, group 4: 1.9 GPa), showed no evidence for chemical reaction or pyrite decomposition. Two or three Raman modes were observed because of crystal orientation or temperature-induced fluorescence effects. The pressure groups showed a decreasing trend of frequency with gradual heating. The interaction of pressure and temperature led to a gradual decrease in Ag and Eg mode at a lower pressure (0.5 GPa and 1.1 GPa) than other pressure groups. Pressure and temperature effects are evident for groups 1 and 2; however, for groups 3 and 4, the temperature shows a larger effect than pressure and leads to a sharp decrease in Ag and Eg modes.

Automated summary

Variations in the Raman spectra of pyrite were studied under different temperatures and pressures. The results showed that temperature increase led to a decrease in frequencies and the transformation from pyrite to hematite. The interaction of pressure and temperature also affected the Raman modes.