TY - JOUR
T1 - High-Pressure Synthesis of CeOCl Crystals and Investigation of Their Photoluminescence and Compressibility Properties
AU - Zhang, Leilei
AU - Cheng, Ya
AU - Lei, Li
AU - Wang, Xianlong
AU - Hu, Qiwei
AU - Wang, Qiming
AU - Ohfuji, Hiroaki
AU - Kojima, Yohei
AU - Zhang, Qiang
AU - Zeng, Zhi
AU - Peng, Fang
AU - Kou, Zili
AU - He, Duanwei
AU - Irifune, Tetsuo
N1 - Funding Information:
This work was supported by the National Natural Science Foundation of China (Grant Nos. 11774247 and 11674329), the Science Foundation for Excellent Youth Scholars of Sichuan University (Grant No. 2015SCU04A04), the Science Challenge Project (No. TZ2016001), the Chinese Academy of Sciences (Grant No. 2017-BEPC-PT-000568), and the Joint Usage/ Research Center PRIUS (Ehime University, Japan).
Publisher Copyright:
© 2018 American Chemical Society.
PY - 2018/3/7
Y1 - 2018/3/7
N2 - The well-crystallized mixed anions compound cerium oxychloride (CeOCl) was successfully synthesized by a high-pressure solid-state metathesis reaction. The photoluminescence experiment shows that the CeOCl, with a band gap of ∼3.05 eV, has good violet-blue emission properties. And first-principles calculations of the band structures show that CeOCl is an indirect (direct) band gap semiconductor for the spin-up (spin-down) branch. This suggests that the CeOCl can be expected to be a semiconductor material. In addition, in situ high-pressure angle-dispersive X-ray diffraction experiment reveals that the bulk modulus of CeOCl is 52.8(8) GPa, which is close to our first-principles calculations, giving that B0 = 47.6(5) GPa.
AB - The well-crystallized mixed anions compound cerium oxychloride (CeOCl) was successfully synthesized by a high-pressure solid-state metathesis reaction. The photoluminescence experiment shows that the CeOCl, with a band gap of ∼3.05 eV, has good violet-blue emission properties. And first-principles calculations of the band structures show that CeOCl is an indirect (direct) band gap semiconductor for the spin-up (spin-down) branch. This suggests that the CeOCl can be expected to be a semiconductor material. In addition, in situ high-pressure angle-dispersive X-ray diffraction experiment reveals that the bulk modulus of CeOCl is 52.8(8) GPa, which is close to our first-principles calculations, giving that B0 = 47.6(5) GPa.
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U2 - 10.1021/acs.cgd.7b01712
DO - 10.1021/acs.cgd.7b01712
M3 - Article
AN - SCOPUS:85043317721
SN - 1528-7483
VL - 18
SP - 1843
EP - 1847
JO - Crystal Growth and Design
JF - Crystal Growth and Design
IS - 3
ER -