Helium incorporation induced direct-gap silicides

Abstract The search of direct-gap Si-based semiconductors is of great interest due to the potential application in many technologically relevant fields. This work examines the incorporation of He as a possible route to form a direct band gap in Si. Structure predictions and first-principles calculat...

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Bibliographic Details
Main Authors: Shicong Ding, Jingming Shi, Jiahao Xie, Wenwen Cui, Pan Zhang, Kang Yang, Jian Hao, Lijun Zhang, Yinwei Li
Format: Article
Language:English
Published: Nature Publishing Group 2021-06-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-021-00558-w