Unveiling High-Pressure Behavior of Sc<sub>3</sub>AlC MAX Phase: A Comprehensive Theoretical Study on Structural, Mechanical, Dislocation, and Electronic Properties

Unveiling High-Pressure Behavior of Sc<sub>3</sub>AlC MAX Phase: A Comprehensive Theoretical Study on Structural, Mechanical, Dislocation, and Electronic Properties

The structural, mechanical, dislocation, and electronic properties of the Sc<sub>3</sub>AlC MAX phase under applied pressure are investigated in detail using first-principles calculations. Key parameters, including lattice parameter ratios, elastic constants, Young’s modulus, bulk modulu...

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Bibliographic Details
Main Authors: Junping Xi, Zhipeng Wang, Linkun Zhang, Li Ma, Pingying Tang
Format: Article
Language:English
Published: MDPI AG 2025-04-01
Series:Metals
Subjects:
MAX phase
first-principles calculations
mechanical properties
energy factor
high pressure
Online Access:https://www.mdpi.com/2075-4701/15/5/492
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