Shi-Ming Zhai, Huang-Sheng Liao, Nai-Gen Zhou, Hai-Bin Huang, Lang Zhou. Atomic simulation of SiyHx structure configuration in a-Si:H thin films [J]. Acta Physica Sinica, 2020, 69(7): 076801-1
- Acta Physica Sinica
- Vol. 69, Issue 7, 076801-1 (2020)
Fig. 1. Schematic diagram of the model structure about a-Si:H thin film deposited on the surface of crystalline silicon substrate.
Fig. 2. Atomic structure of a-Si:H/c-Si film after depositing about 8000 groups with the substrate temperature of 500 K (a) and RDF curve of the film layer (b).
Fig. 3. The bond length distribution of the Si-H bond in the a-Si:H film (Deposition conditions: substrate temperature is 500 K, the incident kinetic energy is 1.45 eV, and the incident frequency is 1 ps/group).
Fig. 4. The structure Schematic diagram of SiyHx in the a-Si:H film: (a) SiH; (b) SiH2; (c) SiH3; (d) HSi2(s); (e) HSi2(l); (f) HSi3.
Fig. 5. Comparisons of Si-H bond energy in each Siy Hx configuration with solar energy
Fig. 6. Relative contents of dangling bonds, SiHx and HSiy (a), relative contents of SiH, SiH2 and SiH3 (b), and relative content of HSi2(s), HSi2 (l) and HSi3 (c) in a-Si:H/c-Si films deposited with different substrate temperatures.
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