CuAlS2∶Ni中间带半导体材料的制备与性能  

Preparation and properties of intermediate band semiconductor CuAlS2:Ni

作　　者：王能能 颜长 钱宇澄 赵蒙 姚金雷 WANG Nengneng;YAN Chang;QIAN Yucheng;ZHAO Meng;YAO Jinlei(School of Mathematics and Physics,SUST,Suzhou 215009,China;Canadian Solar Sunenergy Inc,Yancheng 224051,China;School of Chemistry,Biology and Materials Engineering,SUST,Suzhou 215009,China)

机构地区：[1]苏州科技大学数理学院,江苏苏州215009 [2]盐城阿特斯阳光能源科技有限公司,江苏盐城224051 [3]苏州科技大学化学生物与材料工程学院,江苏苏州215009

出　　处：《苏州科技大学学报（自然科学版）》2020年第3期38-42,共5页Journal of Suzhou University of Science and Technology（Natural Science Edition）

基　　金：国家自然科学基金资助项目(21771136,51301116)。

摘　　要：利用金属预制层硫化法制备出黄铜矿结构的CuAl1-xNixS2多晶薄膜。Ni对Al的取代导致晶格膨胀,晶胞体积从x=0的0.294 0 nm3增加到x=0.04~0.10的0.296 55~0.297 10 nm3。CuAlS2∶Ni薄膜的能隙为Eg=3.15~3.32 eV,相对于未掺杂CuAlS2的Eg=3.80 eV,Ni掺杂导致能隙的减小,是由硫离子偏离了未畸变位置所致。不同Ni含量掺杂的样品均形成中间带半导体,杂质中间带出现在距离价带顶1.80~2.53 eV。能带计算表明,深能级杂质带来源于Ni的3d轨道,CuAlS2∶Ni为深能级中间带半导体。The chalcopyrite-type CuAl1-xNixS2 polycrystalline films have been synthesized by sulfurizing multilayer metallic precursors. The partial replacement of Al with Ni results in the lattice expansion. The cell volume V increases from 0.294 0 nm3 of x=0 to 0.296 55-0.297 1 nm3 of x=0.04-0.10. Compared to the band gap Eg=3.80 eV of undoped CuAlS2,the band gap of CuAlS2∶Ni films decreases to Eg=3.15-3.32 eV,due to the nonideal anion displacement by the Ni substitution. Impurity intermediate bands are found 1.80-2.53 eV higher than the valence band maximum,suggesting the intermediate band semiconductor for CuAlS2∶Ni. The band calculations reveal that the intermediate bands arise from the 3 d orbitals of Ni and that CuAlS2∶Ni belongs to the intermediate-band semiconductor with deep impurities.

关 键 词：光伏材料 半导体化合物 多晶薄膜 黄铜矿 

分 类 号：O469[理学—凝聚态物理]