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High-Pressure Synthesis of CeOCl Crystals and Investigation of Their Photoluminescence and Compressibility Properties

机译：CeoCl晶体高压合成及其光致发光和压缩性能的研究

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摘要

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 B _(0) = 47.6(5) GPa.
机译：通过高压固态复分解反应成功地合成了良好结晶的混合阴离子化合物（CeoCl）。 光致发光实验表明，CeoCl具有〜3.05eV的带隙，具有良好的紫色蓝色排放特性。 频带结构的第一原理计算表明，CEOCL是用于旋转（旋转）分支的间接（直接）带隙半导体。 这表明CEOCL可以预期是半导体材料。 此外，原位高压角分散X射线衍射实验表明，CEOCL的大量模量是52.8（8）GPA，接近我们的第一原理计算，给出了B _（0）= 47.6（ 5）GPA。

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  • 来源
    《Crystal growth & design》 |2018年第3期|共5页
  • 作者

    Leilei Zhang; Ya Cheng; Li Lei; Xianlong Wang; Qiwei Hu; Qiming Wang; Hiroaki Ohfuji; Yohei Kojima; Qiang Zhang; Zhi Zeng; Fang Peng; Zili Kou; Duanwei He; Tetsuo Irifune;

  • 作者单位

    Institute of Atomic and Molecular Physics Sichuan University Chengdu 610065 China;

    Institute of Solid State Physics Chinese Academy of Sciences Hefei 230031 China;

    Institute of Atomic and Molecular Physics Sichuan University Chengdu 610065 China;

    Institute of Solid State Physics Chinese Academy of Sciences Hefei 230031 China;

    Institute of Atomic and Molecular Physics Sichuan University Chengdu 610065 China;

    Institute of Atomic and Molecular Physics Sichuan University Chengdu 610065 China;

    Geodynamics Research Center Ehime University Matsuyama 790-8577 Japan;

    Geodynamics Research Center Ehime University Matsuyama 790-8577 Japan;

    Institute of Atomic and Molecular Physics Sichuan University Chengdu 610065 China;

    Institute of Solid State Physics Chinese Academy of Sciences Hefei 230031 China;

    Institute of Atomic and Molecular Physics Sichuan University Chengdu 610065 China;

    Institute of Atomic and Molecular Physics Sichuan University Chengdu 610065 China;

    Institute of Atomic and Molecular Physics Sichuan University Chengdu 610065 China;

    Geodynamics Research Center Ehime University Matsuyama 790-8577 Japan;

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  • 正文语种 eng
  • 中图分类 晶体学;
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