发布网友 发布时间:2022-05-07 06:44
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热心网友 时间:2023-10-19 17:48
The thermal stability of ZnO phase for the wurtzite structure, it is a kind of wide band gap (gap of 3.37eV at room temperature) II-VI oxide multifunctional direct band gap semiconctor material. Having a low dielectric constant, high electromechanical coupling coefficient, high exciton binding energy of 60meV, high chemical stability and good optical, electrical and piezoelectric properties, so ZnO has potential application value in many aspects. It is in the band structure and GaN have many similarities, but with lower growth temperature, is considered to be a new generation of short wavelength optoelectronic materials is likely to replace GaN. Although ZnO has so many advantages, but people on the preparation of P type ZnO made many researches found, its reliability and stability is an unsolved problem, the first principle, from the theoretical simulation analysis of the effects of compressive stress on the N doped P type stability, the main research contents are as follows: the first step: according to the data, established a pure wurtzite ZnO model, the band structure and density of states distribution of ZnO and N doped ZnO were calculated. The second step: under different compressive stress of N doped ZnO band structure calculation, the electronic density of States, and calculate the various stress conditions of N doped ZnO energy, on the basis of the energy and the formation energy formula to calculate the formation energy, and then through the formation energy stability of N doped P type ZnO is analyzed. Keywords: first principle; band structure; density of states; compressive stress; formation energy begged manual translation, thank you!热心网友 时间:2023-10-19 17:48
The thermal stability of ZnO phase for the wurtzite structure, it is a kind of wide band gap (gap of 3.37eV at room temperature) II-VI oxide multifunctional direct band gap semiconctor material. Having a low dielectric constant, high electromechanical coupling coefficient, high exciton binding energy of 60meV, high chemical stability and good optical, electrical and piezoelectric properties, so ZnO has potential application value in many aspects. It is in the band structure and GaN have many similarities, but with lower growth temperature, is considered to be a new generation of short wavelength optoelectronic materials is likely to replace GaN. Although ZnO has so many advantages, but people on the preparation of P type ZnO made many researches found, its reliability and stability is an unsolved problem, the first principle, from the theoretical simulation analysis of the effects of compressive stress on the N doped P type stability, the main research contents are as follows: the first step: according to the data, established a pure wurtzite ZnO model, the band structure and density of states distribution of ZnO and N doped ZnO were calculated. The second step: under different compressive stress of N doped ZnO band structure calculation, the electronic density of States, and calculate the various stress conditions of N doped ZnO energy, on the basis of the energy and the formation energy formula to calculate the formation energy, and then through the formation energy stability of N doped P type ZnO is analyzed. Keywords: first principle; band structure; density of states; compressive stress; formation energy begged manual translation, thank you!