Elucidating the atomistic mechanisms driving self-diffusion of amorphous Si during annealing
Elucidating the atomistic mechanisms driving self-diffusion of amorphous Si during annealing
复制标题
阐明退火过程中驱动非晶硅自扩散的原子机制
DOI：
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发表时间：
2010
期刊：
影响因子：
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通讯作者：
L. Colombo
中科院分区：
文献类型：
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作者：
I. Santos;L. Marqués;L. Pelaz;L. Colombo
We have analyzed the atomic rearrangements underlying self-diffusion in amorphous Si during annealing using tight-binding molecular dynamics simulations. Two types of amorphous samples with different structural features were used to analyze the influence of coordination defects. We have identified several types of atomic rearrangement mechanisms, and we have obtained an effective migration energy of around 1 eV. We found similar migration energies for both types of samples, but higher diffusivities in the one with a higher initial percentage of coordination defects.
