Equation of State and Elastic Constants of Compressed fcc Cu

First-principles calculations of equation of state and single-crystal elastic constants of copper are carried out up to twofold compression. The Helmholtz free energies are calculated using the quasi-harmonic phonon approach based on density-functional theory within both the local density approximation and the generalized gradient approximation （GGA）. We find that the results calculated within GGA agree better with the experimental measurements in overall. The equation of state and the zero-pressure single-crystal elastic constants are close to the experimental values.     

A high-pressure study of PbCO3 by XRD and Raman spectroscopy

The pressure-induced phase transitions of PbCO3 are studied using synchrotron radiation in a diamond anvil cell at room temperature. The XRD measurement indicates that PbCO3 with an initial phase of aragonite-type structure undergoes two phase transitions at ～7.8GPa and ～15.7GPa respectively. The higher-pressure phase appearing at ～ 15.7GPa is stable up to 51.8GPa. The two phase transitions are further confirmed by Raman scattering up to 23.3GPa. During the decompression process, the high-pressure phases of PbCO3 are gradually recovered to the starting aragonite-type structure, but exhibit some hysteresis. The bulk modulus B0 of the aragonite-type structure is obtained to be 63±(3) GPa by fitting the volume-pressure data to the Birch-Murnaghan equation of states with B0 fixed to 4.     

The Phase Transition of Eu2O3 under High Pressures

Pressure-induced phase transition of cubic Eu2 03 is studied by angle-dispersive x-ray diffraction （ADXD） up to 42.3 GPa at room temperature. A structural transformation from a cubic phase to a hexagonal phase is observed, which starts at 5.0 GPa and finishes at about 13.1 GPa. The phase transition leads to a volume collapse of 9.0% at 8.6 GPa. The hexagonal phase of Eu2 03 maintains stable up to the highest experiment pressure. After re/ease of pressure, the high-pressure phase transforms to a monoclinic phase. The pressure-volume data are fitted with the Birch-Murnaghan equation of state. The bulk moduli obtained upon compression from the fitting are 145（2） GPa and 151（6） OPa for the cubic and hexagonal phases, respectively, when their first pressure derivatives are fixed at 4.