First-Principles Study of Electronic Properties of Substitutionally Doped Monolayer SnP3
Abstract
:1. Introduction
2. Computational Details
3. Result and Discussion
4. Conclusions
Author Contributions
Funding
Data Availability Statement
Conflicts of Interest
References
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System | a = b (Å) | Ef (eV) | d1 (Å) | d2 (Å) | h (Å) | Eg (eV) | M (μB) |
---|---|---|---|---|---|---|---|
SnP3 | 14.32 | / | 2.71 | 2.71 | 2.81 | 0.42 | 0.00 |
Sn7BP24 | 14.30 | −5.662 | 1.93 | 2.71 | 2.72 | 0.09 | 1.00 |
Sn7AlP24 | 14.32 | −3.918 | 2.32 | 2.71 | 2.85 | / | 0.00 |
Sn7GaP24 | 14.32 | 0.592 | 2.33 | 2.71 | 2.85 | / | 0.00 |
Sn7NP24 | 14.25 | 0.333 | 1.86 | 2.71 | 2.74 | 0.08 | 1.00 |
Sn7PP24 | 14.25 | −1.184 | 2.32 | 2.71 | 2.76 | / | 0.00 |
Sn7AsP24 | 14.26 | −0.699 | 2.44 | 2.71 | 2.77 | / | 0.00 |
Sn8P23C | 14.22 | −6.609 | 1.74 | 2.35 | 2.72 | 0.21 | 1.00 |
Sn8P23Si | 14.37 | −0.206 | 2.19 | 2.67 | 2.69 | 0.26 | 1.00 |
Sn8P23Ge | 14.41 | 0.579 | 2.28 | 2.72 | 2.65 | 0.27 | 1.00 |
Sn8P23O | 14.20 | −0.636 | 1.75 | 2.69 | 2.80 | / | 0.00 |
Sn8P23S | 14.29 | 0.756 | 2.20 | 2.74 | 2.75 | 0.12 | 1.00 |
Sn8P23Se | 14.37 | 0.661 | 2.35 | 2.83 | 2.72 | 0.16 | 1.00 |
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Zhang, N.; Li, X.; Ruan, S.; Chen, X.; Li, S.; Hu, T. First-Principles Study of Electronic Properties of Substitutionally Doped Monolayer SnP3. Materials 2022, 15, 2462. https://doi.org/10.3390/ma15072462
Zhang N, Li X, Ruan S, Chen X, Li S, Hu T. First-Principles Study of Electronic Properties of Substitutionally Doped Monolayer SnP3. Materials. 2022; 15(7):2462. https://doi.org/10.3390/ma15072462
Chicago/Turabian StyleZhang, Ningxia, Xiaodan Li, Shihao Ruan, Xiong Chen, Shenghao Li, and Taotao Hu. 2022. "First-Principles Study of Electronic Properties of Substitutionally Doped Monolayer SnP3" Materials 15, no. 7: 2462. https://doi.org/10.3390/ma15072462