Zhaoxin Shu, Yijun Zhang, Xingchao Wang, Muchun Jin, Ling Ren, Kaimin Zhang, Jingjing Zhan. Effect of Antisite Defects on Photoelectric Properties of K2CsSb Photocathode[J]. Acta Optica Sinica, 2021, 41(12): 1216001
- Acta Optica Sinica
- Vol. 41, Issue 12, 1216001 (2021)
Fig. 1. Antisite defect models of K2CsSb. (a) K1.75Cs1.25Sb; (b) K2.25Cs0.75Sb; (c) K1.75CsSb1.25; (d) K2Cs0.75Sb1.25; (e) K2Cs1.25Sb0.75; (f) K2.25CsSb0.75
Fig. 2. Band structures of antisite defect models of K2CsSb. (a) K1.75Cs1.25Sb; (b) K2.25Cs0.75Sb; (c) K1.75CsSb1.25; (d) K2Cs0.75Sb1.25; (e) K2Cs1.25Sb0.75; (f) K2.25CsSb0.75
Fig. 3. Total densities of states of pristine model and antisite defect models of K2CsSb
Fig. 4. Partial densities of states of pristine model of K2CsSb. (a) TDOS; (b) PDOS of Cs; (c) PDOS of K; (d) PDOS of Sb
Fig. 5. Refractive index and extinction coefficient of pristine model and antisite defect models of K2CsSb. (a) Refractive index; (b) extinction coefficient
Fig. 6. Absorption coefficient of pristine model and antisite defect models of K2CsSb
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Table 1. Calculated band gap width of pristine model and antisite defect models with direct band gap
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Table 2. Formation energy and formation enthalpy of antisite defect models
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