Structural stability and vibrational characteristics of CaB<sub>6</sub> under high pressure

Structural stability and vibrational characteristics of CaB₆ under high pressure

Liu Mingkun, Tian Can, Huang Xiaoli^†, Li Fangfei, Huang Yanping, Liu Bingbing, Cui Tian

Full profile Rietveld structural refinement of CaB₆ under high pressure. The fit has an R_wp of 2.0% and the calculated intensities are in good agreement with the observed intensities. The pattern is collected at 1.9 GPa with the incident x-ray wavelength of 0.4122 Å. The crystal structure of CaB₆ is shown in the illustration.