Optical Excitation Characteristics of ZnO under the Radiation Fields
文献类型：期刊论文
| 作者 | Zhang Qi-hang3; Liu Yu-zhu3,4; Yin Wen-yi3; Qin Chao-chao1; Li Bing-sheng2
|
| 刊名 | SPECTROSCOPY AND SPECTRAL ANALYSIS
 |
| 出版日期 | 2018-05 |
| 卷号 | 38页码:1348-1352 |
| 关键词 | Zinc oxide Radiation field Spectrum Excited character |
| ISSN号 | 1000-0593 |
| DOI | 10.3964/j.issn.1000-0593(2018)05-1348-05 |
| 英文摘要 | Based on the density functional theory DFT/BVP86 at 6-311++g(d,p) level, the ground states of ZnO molecule under different external electric fields are optimized. The influence of external electric field ranges from 0 to 0.08 a. u. on the geometrical parameters, dipole moment, total energy, energy gap., Infrared spectrum and UV-VIS absorption spectrum intensity are studied. The results show that the change of molecular structure is obvious, and it becomes strongly dependent on the field strength. As the electric field changes from 0 to 0.08 a. u., the bond length of ZnO molecular increases. And the electric dipole moment is proved to be increasing and the total molecular energy is decreasing all the time. The energy gap of EG is found to decrease with the increasing external field. The IR vibration spectrum of ZnO molecule shows an observable red shift. The oscillator strength of UV-Vis absorption spectrum is proved to be repeating the changes of the first increasing and then decreasing. The ultraviolet absorption peak is blue-shifted with the increase of the field intensity. |
| WOS关键词 | EXTERNAL ELECTRIC-FIELD ; MOLECULE |
| WOS研究方向 | Spectroscopy |
| 语种 | 中文 |
| WOS记录号 | WOS:000432512000004 |
| 出版者 | OFFICE SPECTROSCOPY & SPECTRAL ANALYSIS |
| 源URL | [http://119.78.100.186/handle/113462/56551]  |
| 专题 | 近代物理研究所_先进核能材料研究室（ADS） |
| 通讯作者 | Liu Yu-zhu; Li Bing-sheng |
| 作者单位 | 1.Henan Normal Univ, Coll Phys & Mat Sci, Xinxiang 453007, Peoples R China 2.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China 3.Nanjing Univ Informat Sci & Technol, Jiangsu Key Lab Optoelect Detect Atmosphere & Oce, Nanjing 210044, Jiangsu, Peoples R China 4.Jiangsu Collaborat Innovat Ctr Atmospher Environm, Nanjing 210044, Jiangsu, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang Qi-hang,Liu Yu-zhu,Yin Wen-yi,et al. Optical Excitation Characteristics of ZnO under the Radiation Fields[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS,2018,38:1348-1352. |
| APA | Zhang Qi-hang,Liu Yu-zhu,Yin Wen-yi,Qin Chao-chao,&Li Bing-sheng.(2018).Optical Excitation Characteristics of ZnO under the Radiation Fields.SPECTROSCOPY AND SPECTRAL ANALYSIS,38,1348-1352. |
| MLA | Zhang Qi-hang,et al."Optical Excitation Characteristics of ZnO under the Radiation Fields".SPECTROSCOPY AND SPECTRAL ANALYSIS 38(2018):1348-1352. |
入库方式： OAI收割
来源：近代物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。