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Meeting 2021 TMS Annual Meeting & Exhibition
Symposium Phase Transformations and Microstructural Evolution
Presentation Title Electron-hole Carriers Induced Microstructure Evolution in Inorganic Semiconductors
Author(s) Yidi Shen, Qi An
On-Site Speaker (Planned) Qi An
Abstract Scope Photomechanical effects have been known for decades, while the underlying mechanism remains not fully understood. Here, we employed advanced quantum mechanics (QM) simulations to investigate how the excited e-h pairs affect the deformation and failures in several typical semiconductors: ionic crystal ZnS, covalent crystal GaP and superhard boron carbide (B4C). We found that in ZnS the dislocation dominated deformation mode transforms to a twin dominated deformation mode when the electron-hole pair are excited, leading to a brittle failure. While the dislocation dominated mechanism leads to a ductile mechanical behavior under the ground state. For covalent GaP, we found that the energy barrier for deformation slip in GaP is significantly reduced by generating high-concentration EHPs, exhibiting metal-like ductility. For superstrong B4C, the excited e-h pairs affect the deformation mechanism leading to amorphous band formation. Our results provide the theoretical basis to investigate the photon-mechanical behaviors of semiconductors.
Proceedings Inclusion? Planned:

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