B1-to-B2phase transition of transition-metal monoxideCdOunder strong compression

Haozhe Liu, Ho-kwang Mao, Maddury Somayazulu, Yang Ding, Yue Meng, Daniel Häusermann
2004 Physical Review B  
This paper reports the experimental research on the compressibility and phase transition of CdO up to 176 GPa at room temperature using high-resolution angular-dispersive x-ray diffraction from synchrotron source combined with the diamond anvil cell technique. The phase transition from NaCl ͑B1͒to CsCl ͑B2͒-type structure for CdO was observed at pressure about 90.6 GPa, which is uniquely observed in the transition-metal oxide family for the pressure-induced direct B1-B2 transition and in good
more » ... reement with the theoretical prediction. The bulk modulus of the B1 and B2 phases of CdO at zero pressure was estimated as 147 and 169 GPa, respectively. The 3d and 4d transition-metal monoxides ZnO and CdO were both predicted to undergo a B1-to-B2-type structural transformation under high pressure based on first-principles total energy calculations; the difference in the bulk moduli between the results of this experiment and simulations, and the possibility of a similar B1-to-B2 phase transition in ZnO are discussed.
doi:10.1103/physrevb.70.094114 fatcat:v4ahfzrunbhmfh4pceuln3crti