First-Principles Calculations of the Optical Properties of Bi4Si3O12: RE (RE = Ho3+, Tb3+, Eu3+, Gd3+, Sm3+, Tm3+) Crystals

Yan Huang ^{1, 2, 3}

Xuefeng Xiao ^{1, 2, 3}

YunLong Zhang ⁴

Han Xu ^{1, 2, 3}

Jiahao Li ^{1, 2, 3}

Yan Zhang ^{1, 2, 3}

Jiashun Si ^{1, 2, 3}

Shuaijie Liang ^{1, 2, 3}

Qingyan Xu ^{1, 2, 3}

Huan Zhang ^{1, 2, 3}

Lingling Ma ^{1, 2, 3}

Cui Yang ^{1, 2, 3}

Zhang Xuefeng ^{2, 5}

Jiayue Xu ⁶

Tian Tian ⁶

Hui Shen ⁶

Show full list: 16 authors

Hide authors affiliations

College of Electric and Information Engineering, North Minzu University, Wenchang Road 204, Yinchuan 750021, China |

Key Laboratory of Physics and Photoelectric Information Functional Materials Sciences and Technology, North Minzu University, Wenchang Road 204, Yinchuan 750021, China |

Microelectronics and Solid-State Electronics Device Research Center, North Minzu University, Yinchuan 750021, China |

⁴

Qingdao ZITN Micro-Electronics Company Limited, Qingdao 266000, China

⁵

Ningxia Ju Jing Yuan Crystal Technology Company Limited, Shizuishan 753000, China

⁶

School of Materials Science and Engineering, Shanghai Institute of Technology, Shanghai 201418, China |

Publication type: Journal Article

Publication date: 2025-02-28

MDPI

Journal: Crystals

scimago Q2

SJR: 0.449

CiteScore: 4.2

Impact factor: 2.4

ISSN: 20734352, 01725076

DOI: 10.3390/cryst15030232

Copy DOI

Abstract

This study employs the first-principles calculation method based on density functional theory to investigate and analyze the effects of doping various rare earthions on the optical properties of bismuth silicate (Bi4Si3O12, BSO) crystals. The results indicate that the electronic structure variations of rare earth ions significantly influence the electronic structure and transition characteristics of BSO crystals, thereby altering their optical properties. Specifically, Tm3+ doping notably enhances the polarization capability and infrared responsiveness of BSO crystals, Ho3+ doping improves their absorption and scattering abilities in the visible light range, while Eu3+ doping enhances their ultraviolet absorption. Overall, Tm3+ doping and Ho3+ doping exhibit the most prominent effects on the optical performance of BSO crystals, providing theoretical guidance for designing and optimizing BSO crystals with specific optical properties.

Found

Top-30

Journals

	1
Chemical Physics Impact	Chemical Physics Impact, 1, 100% Chemical Physics Impact 1 publication, 100%
	1

Publishers

	1
Elsevier	Elsevier, 1, 100% Elsevier 1 publication, 100%
	1

We do not take into account publications without a DOI.
Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
Statistics recalculated weekly.