Understanding the Interface Characteristics Between TiB<sub>2</sub>(0001) and L1<sub>2</sub>-Al<sub>3</sub>Zr(001): A First-Principles Investigation

Understanding the Interface Characteristics Between TiB<sub>2</sub>(0001) and L1<sub>2</sub>-Al<sub>3</sub>Zr(001): A First-Principles Investigation

This study employs first-principles calculation methods to explore the characteristics of the TiB<sub>2</sub>(0001)/L1<sub>2</sub>-Al<sub>3</sub>Zr(001) interface, including the atomic structure, adhesion work, interfacial energy, and electronic structure of vario...

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Bibliographic Details
Main Authors: Xingzhi Pang, Loujiang Yang, Hang Nong, Mingjun Pang, Gaobao Wang, Jian Li, Zhenchao Chen, Wei Zeng, Zhihang Xiao, Zengxiang Yang, Hongqun Tang
Format: Article
Language:English
Published: MDPI AG 2024-11-01
Series:Crystals
Subjects:
first-principles calculations
interface stability
TiB<sub>2</sub>/Al<sub>3</sub>Zr interfaces
electronic structure analysis
Online Access:https://www.mdpi.com/2073-4352/14/11/979
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