Mechanism of monolayer to bilayer silicene transformation in CaSi2 due to fluorine diffusion

Akira Nagoya,Ritsuko Yaokawa,Nobuko Ohba

Physical Chemistry Chemical Physics（2021）

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摘要

The mechanism by which fluorine (F) diffusion into CaSi₂ leads to a phase transformation from monolayers of silicene (MLSi) to bilayer silicene (BLSi) was revealed using HAADF–STEM observations and DFT calculations.

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关键词

silicene transformation,monolayer,bilayer,casi2

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