High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape

Abstract

A high-pressure cell for single-crystal investigations requires large opening angles. If it does not contain any beryllium but only two diamonds mounted on steel backing plates, normally only lower pressures can be attained without risk of disruption of the diamond anvils [Ahsbahs (2004). Z. Kristallogr. 219 , 305–308]. In order to enable pressures up to at least 10 GPa, specially shaped anvils were designed. In a first study with such anvils, the high-pressure behaviour of zincite ZnO was investigated up to the transition pressure of about 9.5 GPa. A slight decrease of the axial ratio c / a with increasing pressure was observed. The fit of the Birch–Murnaghan equation of state gave a bulk modulus K = 146.5 (8) GPa with a fixed pressure derivative K ′ = 4. During the phase transformation, the single crystals were destroyed. The pronounced preferred orientation of the obtained material, however, enabled the determination of the orientation relations between the low-pressure wurtzite-type and the high-pressure NaCl-type phase. The orientation relations are similar to those in CdS and CdSe.