First Principles Study on the Electronic Structure and Optical Properties of La Doped YB6 Crystals

Authors

  • Hongbo TANG Yichun University
  • Qiuyue LI Yichun University
  • Jian ZHOU Yichun University
  • Lihua XIAO Guizhou Institute of Technology
  • Ping PENG Hunan University

DOI:

https://doi.org/10.5755/j02.ms.25006

Keywords:

YB6, doped, first principles, optical property

Abstract

Received 03 January 2020; accepted 17 June 2020

We have investigated the optical properties of La (0, 0.125, 0.250) doped YB6 by means of first-principles calculations within the framework of density functional theory. It was found that electronic and optical properties of YB6 crystals varied remarkably when Y atoms were replaced with La atoms. Furthermore, with increasing content of La in YB6 crystals from 12.5 % to 25 % reflectivity and absorption coefficient of near infrared light decreased obviously, while the transmittance was enhanced.

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Published

2021-03-18

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Section

Articles