Comparative Study on Electronic Structure and Optical Properties of α-Fe<sub>2</sub>O<sub>3</sub>, Ag/α-Fe<sub>2</sub>O<sub>3</sub> and S/α-Fe<sub>2</sub>O<sub>3</sub>

Comparative Study on Electronic Structure and Optical Properties of α-Fe<sub>2</sub>O<sub>3</sub>, Ag/α-Fe<sub>2</sub>O<sub>3</sub> and S/α-Fe<sub>2</sub>O<sub>3</sub>

The electronic structures and optical properties of pure, Ag-doped and S-doped α-Fe<sub>2</sub>O<sub>3</sub> were studied using density functional theory (DFT). The calculation results show that the structure of α-Fe<sub>2</sub>O<sub>3</sub> crystal ch...

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Bibliographic Details
Main Authors: Cuihua Zhao, Baishi Li, Xi Zhou, Jianhua Chen, Hongqun Tang
Format: Article
Language:English
Published: MDPI AG 2021-03-01
Series:Metals
Subjects:
α-Fe<sub>2</sub>O<sub>3</sub>
doping
density functional theory
electronic structure
optical properties
Online Access:https://www.mdpi.com/2075-4701/11/3/424

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