| Cite this article as: Li Hao-Nan,Li Cong. Study of the effect of Y doping on the electronic structure and absorption spectrum of ZnTe based on selective doping orientation [J]. J. At. Mol. Phys.(原子与分子物理学报), 2024, 41: 066003 (in Chinese) |
| Study of the effect of Y doping on the electronic structure and absorption spectrum of ZnTe based on selective doping orientation |
| Hits 235 Download times 27 Received:February 16, 2023 Revised:March 15, 2023 |
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Y-doped ZnTe doping concentration and mode first nature principle electronic structure optoelectronic properties |
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| Abstract
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| ZnTe has been subjected to a series of related studies by many scholars due to its unique forbidden band width, optical properties and re-doping, but little has been reported on the effects of Y doping concentration and doping method on ZnTe. The authors used the generalized gradient approximation method under the framework of density generalization theory to calculate the geometry, energy band structure, density of states distribution, absorption spectra and other properties of ZnTe at doping concentrations of 1.56at%, 3.13at% and 4.69at%, and the effects of different doping methods on the system, respectively. The results show that at a doping concentration of 3.12at% and different doping methods, the formation energy of the doped atoms along the [111] crystal orientation is the lowest, i.e., the [111] crystal orientation is the preferred crystal orientation. When the doping concentration is 4.69at%, the preferred crystallographic plane is the (111) plane. To achieve a higher concentration of Y doping, doping along the (111) crystal plane is more easily achieved. For experimental purposes, higher concentration of Y doping makes it easier to concentrate the dopant atoms in the ZnTe system along the (111) crystal plane. the Y doping of ZnTe results in a larger forbidden band width, a blue shift in the absorption spectrum and a reduction in the intensity of absorption of visible light. The concentration is 3.13at%, the band width is the largest, the blue shift is the most obvious, and the absorption intensity is the smallest.The system becomes an n-type semiconductor after Y doping, and P-N junction diodes can be made using this doping method. |
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