486 / 2019-03-18 17:01:01

High-Pressure Synthesis and Characterization of CeOCl

CeOCl,High-pressure solid-state metathesis reaction,Photoluminescence,Bulk modulus,First-principles calculations

全体主题 > High Pressure Physics and Materials Science

The well-crystallized CeOCl was synthesized by a high-pressure solid-state metathesis (HPSSM) reaction at 5 GPa and 1873 K. The chemical reaction equation can be depicted as: CeCl3 + MgO = CeOCl + MgCl2.
The CeOCl were probed by powder XRD, FE-SEM, EDS, HRTEM, PL and Raman spectroscopy, in situ high-pressure angle-dispersive X-ray diffraction (ADXRD), as well as the first-principles calculations.
Our results showed that CeOCl, with ~3.05 eV band gap, is an indirect (direct) band gap semiconductor for the spin-up (spin-down) branch. In addition, the bulk modulus of CeOCl is determined to be 52.8(8) GPa, which is close to our first-principles calculations, giving that B0 = 47.6(5) GPa.