物理学报2012，Vol.61Issue(13)：481-486,6.
W掺杂ZnO透明导电薄膜的理论及实验研究
Theoretical and experimental investigation of W doped ZnO
摘要
Abstract
The properties of high valence difference W doped ZnO films （WZO） are investigated by means of plane wave pseudo-potential method based on the density-functional theory （DFT） and pulsed DC magnetron sputtering technique. The theoretical result shows after incorporation of W the Fermi level enters into the conduction band, showing that a typical n-type metallic characteristic and the optical band gap Eg increase significantly. The carriers originate from the orbits of W 5d, O 2p and Zn 3d. Moreover, the increase of the lattice constant is due to the longer bond length of W-O and lattice distortion. The experimental results demonstrate that the deposited WZO film grows preferentially in the （002） crystallographic direction but the lattice constant increases. The resistivity decreases from 1.35 x 10-2 ^2.cm to 1.55 x 10-3 Ω.cm and the optical bandgap extends from 3.27 eV to 3.48 eV compared with those of ZnO. The average transmittance is over 83 % in a wavelength range from 400 to 1100 nm. The experimental results are in good agreement with the theoretical results, showing that the WZO thin film has a great potential application as transparent conductive oxide.关键词
WZO薄膜/第一性原理/磁控溅射/太阳电池Key words
WZO film/first principles/magnetron sputtering/solar cell分类
信息技术与安全科学引用本文复制引用
王延峰,黄茜,宋庆功,刘阳,魏长春,赵颖,张晓丹..W掺杂ZnO透明导电薄膜的理论及实验研究[J].物理学报,2012,61(13):481-486,6.基金项目
国家高技术研究发展计划 （）
国家重点基础研究发展计划 （）
国家自然科学基金 （）
中国-希腊国际合作项目 （）
教育部新世纪优秀人才支持计划（批准号：NCET-08-0295）、教育部重点实验室开放课题 （）
中央高校基本科研业务费（批准号：65011981）资助的课题 （）
