A Generalized Bond Switching Monte Carlo method for amorphous structure generation

Amorphous semiconductors are used in many electronic devices. For Si and other highly covalent bond systems, the amorphous structures can be generated using the bond switching method. However, for other non-covalent amorphous materials, it becomes challenging to generate their atomic structures. In...

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Bibliographic Details

Published in:	Computational Materials Today
Main Authors:	Zhengneng Zheng, Fan Zheng, Yu-Ning Wu, Shiyou Chen, Lin-Wang Wang
Format:	Article
Language:	English
Published:	Elsevier 2025-06-01
Subjects:	Bond switching Monte Carlo Amorphous Valence force field Pair correlation function
Online Access:	http://www.sciencedirect.com/science/article/pii/S2950463525000079