Presentation Information

[9a-N205-7]Electronic and Luminescence Properties of Novel Zero-Dimensional Li2HfX6 Halide Scintillators for Neutron Detection

〇(DC)Chihaya Fujiwara1,2, Shunsuke Kurosawa2,3,4,5, Akihiro Yamaji2,3, Akira Yoshikawa2,3 (1.Graduate School of Eng., Tohoku Univ., 2.IMR, Tohoku Univ., 3.NICHe, Tohoku Univ., 4.ILE Osaka Univ., 5.Institute for Integrated Radiation and Nuclear Science, Kyoto Univ.)

Keywords:

Scintillator,Zero-dimentional perovskite halide,First principal calculation

Zero-dimensional halide perovskites, A2BX6 (A=Cs; B=Hf, Zr; X=Cl, Br, I), are promising scintillator materials that exhibit emission from self-trapped excitons (STEs) originating from spatially isolated [BX6]2− octahedral clusters. In this study, with the aim of developing a novel, highly sensitive, and high-brightness neutron scintillator, we have developed Li2HfX6 (X=Cl, Br, I) scintillators by introducing Li, which contains 6Li with a large neutron reaction cross-section, into the A-site. We investigated their structural, electronic, and luminescence properties through both experimental methods and first-principles calculations.