Physical Properties Investigations of Ternary-Layered Carbides M<sub>2</sub>PbC (M = Ti, Zr and Hf): First-Principles Calculations

Physical Properties Investigations of Ternary-Layered Carbides M<sub>2</sub>PbC (M = Ti, Zr and Hf): First-Principles Calculations

We investigated structure optimization, mechanical stability, electronic and bonding properties of the nanolaminate compounds Ti<sub>2</sub>PbC, Zr<sub>2</sub>PbC, and Hf<sub>2</sub>PbC using the first-principles calculations. These structures display nanolaminate...

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Bibliographic Details
Main Authors: Tahani A. Alrebdi, Mohammed Benali Kanoun, Souraya Goumri-Said
Format: Article
Language:English
Published: MDPI AG 2021-11-01
Series:Crystals
Subjects:
211 MAX phases
mechanical properties
electronic properties
phonons
DFT calculations
Online Access:https://www.mdpi.com/2073-4352/11/12/1445

Internet

https://www.mdpi.com/2073-4352/11/12/1445

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