Impact of Nd Doping on Electronic, Optical, and Magnetic Properties of ZnO: A GGA + U Study

Impact of Nd Doping on Electronic, Optical, and Magnetic Properties of ZnO: A GGA + U Study

The electronic, optical, and magnetic properties of Nd-doped ZnO systems were calculated using the DFT/GGA + U method. According to the results, the Nd dopant causes lattice parameter expansion, negative formation energy, and bandgap narrowing, resulting in the formation of an N-type degenerate semi...

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Bibliographic Details
Main Authors: Qiao Wu, Gaihui Liu, Huihui Shi, Bohang Zhang, Jing Ning, Tingting Shao, Suqin Xue, Fuchun Zhang
Format: Article
Language:English
Published: MDPI AG 2023-11-01
Series:Molecules
Subjects:
ZnO
first-principle
magnetic properties
optical properties
rare earth element
Online Access:https://www.mdpi.com/1420-3049/28/21/7416

Internet

https://www.mdpi.com/1420-3049/28/21/7416

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