研究目的
To investigate the band gap energy of the Sb-rich GaBixSb1?x alloy, addressing problems such as the suitability of the band anticrossing model for lowly mismatched alloys, the influence of impurity-impurity and impurity-host interactions, and predicting the Bi content for zero band gap energy.
研究成果
The impurity-impurity interaction has a negligible effect on the band gap energy, while the impurity-host interaction depends on both Bi content and host material content. The modified VBAC model combined with VCA provides a good description of the band gap energy. The U CBM shows stronger composition dependence than the U VBM due to larger conduction band offset and weak coupling from the large energy difference between the Bi level and VBM of GaSb.
研究不足
The study is theoretical and relies on assumptions in the model, such as neglecting impurity-impurity interactions and modifying the VBAC model to include host material content dependence. It is limited to the Sb-rich range (0 ≤ x ≤ 0.26) and may not account for all physical complexities in the alloy system.
1：Experimental Design and Method Selection:
The study uses a theoretical modeling approach, combining the virtual crystal approximation (VCA) for the conduction band minimum (CBM) and a modified valence band anticrossing (VBAC) model for the valence band maximum (VBM) to describe the band gap energy. The model is applied to the Sb-rich GaBixSb1?x alloy with Bi content from 0 to 0.
2：Sample Selection and Data Sources:
26.
2. Sample Selection and Data Sources: Experimental data from previous literature (references 14-18) are used for comparison and validation of the model predictions.
3：List of Experimental Equipment and Materials:
No specific experimental equipment or materials are mentioned, as the paper is theoretical and relies on existing data.
4：Experimental Procedures and Operational Workflow:
The methodology involves deriving equations (e.g., Eq. 6) based on physical models, fitting parameters (e.g., CMBi = 0.83 eV), and comparing results with experimental data.
5：83 eV), and comparing results with experimental data.
Data Analysis Methods:
5. Data Analysis Methods: Data analysis includes fitting the model to experimental data, calculating band gap energies, and extrapolating to find the Bi content for zero band gap energy.
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