The physical properties of Sc2PbC: A first-principles calculations

The structural, electronic, elastic, hardness, fracture toughness, and thermodynamic properties of the newly synthesized MAX phase Sc2PbC were studied for the first time through the first-principles calculations. The optimized lattice parameters are in agreement with the experimental data. The therm...

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Bibliographic Details
Main Authors: Qiang Fan, Chunhai Liu, Jianhui Yang
Format: Article
Language:English
Published: Elsevier 2023-10-01
Series:Results in Physics
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379723008069