The electronic and optical properties of Ni-doped Bi4O5I2: First-principles calculations

The electronic and optical properties of Ni-doped Bi4O5I2: First-principles calculations

The electronic and optical properties of Ni-doped Bi4O5I2 systems were investigated via first-principle calculations. For the pristine Bi4O5I2, the band gap was calculated to be 2.17 eV, which was close to the experimental report. When the concentration of Ni increased, the band gap obviously decrea...

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Bibliographic Details
Main Authors: Suqin Xue, Jianrong Wang, Qiao Wu, Lei Zhang, Rong Dai, Bonian Tian, Wei Wang, Weibin Zhang, Fuchun Zhang
Format: Article
Language:English
Published: Elsevier 2020-12-01
Series:Results in Physics
Subjects:
Density functional theory
Electronic property
Optical property
Ni-doped
Bi4O5I2
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379720320350

Internet

http://www.sciencedirect.com/science/article/pii/S2211379720320350

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