Influence of Stress on Electronic and Optical Properties of Rocksalt and Wurtzite MgO–ZnO Nanocomposites with Varying Concentrations of Magnesium and Zinc

The structural, electronic and optical properties of stressed MgO–ZnO nanocomposite alloys with concentrations of Zn and Mg varying from 0.125 to 0.875 were studied using ab initio simulations. Two crystal structures are considered for the initial MgO–ZnO alloys: the rocksalt Mg<inline-formula>...

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Bibliographic Details
Main Authors: Yin-Pai Lin, Sergei Piskunov, Laima Trinkler, Mitch Ming-Chi Chou, Liuwen Chang
Format: Article
Language:English
Published: MDPI AG 2022-09-01
Series:Nanomaterials
Subjects:
Online Access:https://www.mdpi.com/2079-4991/12/19/3408