Structural, Mechanical, Electronic, Optical, and Thermodynamic Properties of New Oxychalcogenide A<sub>2</sub>O<sub>2</sub>B<sub>2</sub>Se<sub>3</sub> (A = Sr, Ba; B = Bi, Sb) Compounds: A First-Principles Study

Structural, Mechanical, Electronic, Optical, and Thermodynamic Properties of New Oxychalcogenide A<sub>2</sub>O<sub>2</sub>B<sub>2</sub>Se<sub>3</sub> (A = Sr, Ba; B = Bi, Sb) Compounds: A First-Principles Study

The structural, mechanical, electronic, and optical characteristics of Alkali chalcogenide and oxychalcogenides, i.e., A<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>2&...

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Bibliographic Details
Main Authors: Abdulrahman Mallah, Mourad Debbichi, Mohamed Houcine Dhaou, Bilel Bellakhdhar
Format: Article
Language:English
Published: MDPI AG 2023-01-01
Series:Crystals
Subjects:
DFT
alkali chalcogenide
mechanical property
ab initio calculations
oxychalcogenide
Online Access:https://www.mdpi.com/2073-4352/13/1/122

Internet

https://www.mdpi.com/2073-4352/13/1/122

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