Understanding the Interface Characteristics Between TiB2(0001) and L12-Al3Zr(001): A First-Principles Investigation

This study employs first-principles calculation methods to explore the characteristics of the TiB2(0001)/L12-Al3Zr(001) interface, including the atomic structure, adhesion work, interfacial energy, and electronic structure of various interface models. Considering four different terminations and thre...

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Bibliographic Details
Published in:	Crystals (Basel) Vol. 14; no. 11; p. 979
Main Authors:	Pang, Xingzhi, Yang, Loujiang, Nong, Hang, Pang, Mingjun, Wang, Gaobao, Li, Jian, Chen, Zhenchao, Zeng, Wei, Xiao, Zhihang, Yang, Zengxiang, Tang, Hongqun
Format:	Journal Article
Language:	English
Published:	14-11-2024
Online Access:	Get full text
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