期刊
THIN SOLID FILMS
卷 724, 期 -, 页码 -出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.tsf.2021.138629
关键词
Solar cell; Barium disilicide; Passivation; Hydrogen; Carrier lifetime; Ab initio study
类别
资金
- Japan Society for the Promotion of Science (JSPS) KAKENHI [18H03767]
- Belarusian National Research Programs Materials science, new materials and technology
- Belarusian Republican Foundation for Fundamental Research [F18MC-012]
- Improving of the Competitiveness Program of the National Research Nuclear University MEPhI - Moscow Engineering Physics Institute
- [19J21372]
The study conducted a comparative experimental and theoretical investigation into the effect of H incorporation on As-doped BaSi2 films, demonstrating that an optimal treatment time of 1-20 minutes led to increased photoresponsivity and carrier lifetime. Theoretical analysis revealed that interstitial As atoms could create trap states in the gap, which are neutralized by H atoms.
A comparative experimental and theoretical study of the role of H incorporation in As-doped BaSi2 films has been carried out based on the experimental results that an optimal time of H treatment for the increase in photoresponsivity and carrier lifetime was in the range of 1 ? 20 min. Adequate theoretical representation of the decay curves in the framework of the model for non-radiative processes accounted for various trap-related recombination mechanisms to estimate the trap concentration to be in the range of 1.9 ? 1013 to 1.7 ? 1014 cm-3. Additionally, the extended theoretical ab initio quantum-chemical simulation of the electronic structure of the studied systems was performed. It was revealed that interstitial As atoms can mostly provide trap states in the gap while H atoms neutralize such traps. The experimentally observed unexpected switching in conductivity from n-type to p-type and vice versa in As-doped BaSi2 with H incorporation was explained to specific configurations of point defects (an As impurity with a H atom in different positions and various interatomic As-H distances) which affect the position of states in the gap.
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