In-Depth DFT-Based Analysis of the Structural, Mechanical, Thermodynamic, and Electronic Characteristics of CuP<sub>2</sub> and Cu<sub>3</sub>P: Insights into Material Stability and Performance

In-Depth DFT-Based Analysis of the Structural, Mechanical, Thermodynamic, and Electronic Characteristics of CuP<sub>2</sub> and Cu<sub>3</sub>P: Insights into Material Stability and Performance

This study employed density functional theory (DFT) to investigate the structural, mechanical, thermodynamic, and electronic properties of monoclinic CuP<sub>2</sub> and hexagonal Cu<sub>3</sub>P. The analysis confirmed the mechanical stability of both compounds, with distinc...

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Bibliographic Details
Main Authors: Ching-Feng Yu, Hsien-Chie Cheng
Format: Article
Language:English
Published: MDPI AG 2025-03-01
Series:Metals
Subjects:
density functional theory
compounds
microelectronic packaging technologies
mechanical properties
thermodynamic properties
electronic properties
Online Access:https://www.mdpi.com/2075-4701/15/4/369
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