Prediction of stable structure and unique charge transfer in Li–Pt intermetallic compounds under pressure

Prediction of stable structure and unique charge transfer in Li–Pt intermetallic compounds under pressure

The exploration of new intermetallic compounds is of great significance for basic research and practical application. There is a huge electronegativity difference between Li and Pt, and the metals exhibit interesting and diverse properties; however, the structural behavior of Li–Pt intermetallics wi...

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Bibliographic Details
Main Authors: Wenlin Xu, Dengjie Yan, Liguo Zhu, Yifei Wang, Lingxin Kong, Bin Yang, Baoqiang Xu
Format: Article
Language:English
Published: Elsevier 2024-11-01
Series:Journal of Materials Research and Technology
Subjects:
Structure prediction
First-principles calculations
Phase transition
Intermetallics
Crystal structure
Online Access:http://www.sciencedirect.com/science/article/pii/S2238785424022713
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