X-Ray Diffraction Investigation of Chalcopyrite under High Pressure and Temperature

In situ angle dispersive X-ray diffraction measurements for a natural chalcopyrite were performed by using heating diamond anvil cell instrument with synchrotron radiation at BSRF up to 32.0 GPa and 628 K. The phase transition of chalcopyrite from chalcopyrite structure to rocksalt structure is around 6.0 GPa. A fit to the high temperature third-order Birch-Murnaghan equation of state yielded an isothermal bulk modulus K0＝109(3) GPa, a temperature derivative of the bulk modulus (dK/dT)p=-0.033(4) GPaK-1, and a thermal expansion coefficient 0=2.0(2)10-5 K-1 of rocksalt structure phase of chalcopyrite for the first time.