| LI Jun,LIU Hao,ZHANG Xin,WANG Quan,WANG Hua-lin,ZHANG Shuang,DING Wan-yu.Electron Carrier Concentration of Cation Doped ZnO by Cluster Plus Glue Atom Model[J],49(5):68-74 |
| Electron Carrier Concentration of Cation Doped ZnO by Cluster Plus Glue Atom Model |
| Received:February 06, 2020 Revised:May 20, 2020 |
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| DOI：10.16490/j.cnki.issn.1001-3660.2020.05.008 |
| KeyWord:cluster plus glue atom model unit cluster structure transparent conductive oxide cation doped ZnO doping distribution carrier concentration |
| Author | Institution |
| LI Jun |
College of Materials Science and Engineering, Dalian Jiaotong University, Dalian , China |
| LIU Hao |
College of Materials Science and Engineering, Dalian Jiaotong University, Dalian , China |
| ZHANG Xin |
College of Materials Science and Engineering, Dalian Jiaotong University, Dalian , China |
| WANG Quan |
College of Materials Science and Engineering, Dalian Jiaotong University, Dalian , China |
| WANG Hua-lin |
College of Materials Science and Engineering, Dalian Jiaotong University, Dalian , China |
| ZHANG Shuang |
College of Materials Science and Engineering, Dalian Jiaotong University, Dalian , China |
| DING Wan-yu |
College of Materials Science and Engineering, Dalian Jiaotong University, Dalian , China |
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| Abstract: |
| The paper aims to quantitatively analyze the ideal cation doping concentration and ideal electron carrier concentration in cation doped wurtzite ZnO. Based on the cluster plus glue atom model, the culster formular of wurtzite ZnO was established to calculate the electron carrier concentration under the ideal cation doping concentration condition. The Sn-doped ZnO material was designed according to the result of theoritical analysis and the Sn-doped ZnO film was prepared by the magnetron sputtering method. The transmittance and electron carrier concentration of the Sn-doped ZnO film were respectively evaluated with ultraviolet and visible spectrophotometer, Hall effect measurement system, etc. With wurtzite phase ZnO as a research system and based on the cluster plus glue atom model, the clustuer structure{[Zn-O4]Zn3} of wurtzite phase ZnO was evaluated. On this basis, the super clustur structure of wurtzite phase ZnO was established, which consisted of one center culster formular, six nearest culster formular, and one glue culster formular, just as expressed as {[Zn-O4]Zn3}— {[Zn-O4]Zn3}6—{[Zn-O4]Zn3}=Zn32O32. Based on the super clustur structure of wurtzite phase ZnO, the super clustur structure of cation doped ZnO was established, which could be expressed as {[M-O4]Zn3}—{{[M-O4]Zn3}{[Zn-O4]Zn3}5}—{[M-O4]Zn3}= M3Zn29O32, with the optimum element ratio of AM: AZn=10.34%. According to the super clustur structure of cation doped ZnO, the ideal electron carrier concentration of unit cluster Al3Zn29O32 was quantitively calcuated to be 3.935×1021 cm–3. In practice, Al doped ZnO displayed the unit cluster AlZn31O32 and about 4×1020 cm–3 in electron carrier concentration, which was about 1/10 of ideal value. The reasons were discussed in details. SnZn31O32 film was designed and prepared. It dispalyed the average transmissivity of 80.25%±1.74% in wavelength range in 450~800 nm and electron carrier concentration (7.72±1.68)×1020 cm–3. In summary, the cluster plus glue atom model could quantitatively analyze the doping content and the electron carrier concentration of cation doped ZnO. It can provide theoritical guidance for design cation doped ZnO materrial of high performance. The SnZn31O32 film designed based on the cluster plus glue atom model is transparent and conductive. With further research, it could be the ideal transparent conductive oxide film with high electron carrier concentration in the future. |
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