@inproceedings{5a0dffed470e4183ad94f9c401c904a5,
title = "First principles study electronic and optical properties of LaBr3 and LaBr3:Ce crystal",
abstract = "First-principles calculations based on the density function theory (DFT) are implemented to explore the effect of Ce doping on the electronic structure and optical properties of LaBr3 crystals using generalized gradient approximation (GGA) +U. And band structure, density of states and optical properties are discussed. Due to the transition of Ce3+ ion from 4f-orbital to 5d-orbital, the band gaps of LaBr3:Ce (0.63 eV) is narrower than that of LaBr3 (3.569 eV), which produce more visible light in the same range of irradiated energy. Otherwise, the absorption spectrum (15.6 μm-1) and reflection index (less than 12\%) of LaBr3:Ce are smaller than LaBr3 (20 μm-1, less than 15\%, respectively), leading to transmit more visible light. The research shows reason that Ce doping can improve the luminescence performance of LaBr3 scintillators and the results are compared with the available experimental data.",
keywords = "Electronic structure, First-principles, LaBr3, LaBr3:Ce, Optical properties",
author = "Min Li and Fang Liu and Xiaoping Ouyang",
note = "Publisher Copyright: {\textcopyright} 2019 SPIE.; Applied Optics and Photonics China 2019: Advanced Laser Materials and Laser Technology, AOPC 2019 ; Conference date: 07-07-2019 Through 09-07-2019",
year = "2019",
doi = "10.1117/12.2542520",
language = "英语",
series = "Proceedings of SPIE - The International Society for Optical Engineering",
publisher = "SPIE",
editor = "Pu Zhou and Jian Zhang and Wenxue Li and Shibin Jiang and Takunori Taira",
booktitle = "AOPC 2019",
}