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In Situ Tracking of Long-Range Surface Diffusion of Gold Clusters Mediating Amorphous Si Crystallization
Zongyao Li1, Xin Jin1, Wenjun Cui1
1State Key Laboratory of Optoelectronic Information Acquisition and Protection Technology, Leibniz International Joint Research Center of Materials Sciences of Anhui Province, Institutes of Physical Science and Information Technology, Anhui University, Hefei 230601, China.
Gold (Au) clusters diffuse on amorphous silicon via two modes, driven by a higher barrier on amorphous surfaces. This reveals atomic-scale mechanisms for metal-induced crystallization at interfaces.
Area of Science:
- Materials Science
- Surface Science
- Nanotechnology
Background:
- Metal-induced crystallization is key for material design, but atomistic diffusion mechanisms on disordered matter are not well understood.
- Understanding metal cluster migration is crucial for controlling interface reactions and material properties.
Purpose of the Study:
- To investigate the atomic-scale dynamics of gold (Au) cluster diffusion on amorphous silicon (a-Si).
- To elucidate the crystallization mechanisms mediated by Au diffusion on a-Si at the atomic level.
Main Methods:
- Atomic-resolution in situ heating transmission electron microscopy (TEM).
- Density functional theory (DFT) calculations.
- Systematic investigation of Au cluster diffusion and crystallization on a-Si.
Main Results:
- Amorphous Au clusters exhibit Arrhenius-type diffusion kinetics with a 0.69 eV activation barrier.
- Two synergistic diffusion modes were observed: linear homogeneous diffusion and nonlinear aggregation-spreading.
- Diffusion is driven by a higher energy barrier on amorphous silicon surfaces compared to crystalline surfaces, without intermediate silicide formation.
Conclusions:
- Provides atomic-scale evidence for gold surface diffusion on amorphous silicon.
- Demonstrates the role of surface diffusion in mediating metal-induced crystallization.
- Offers insights into diffusion dynamics at amorphous-amorphous/crystalline interfaces for materials design.

