| ZnMO(M=Cd,Mg)纳米管发光性能的第一性原理研究 |
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| 引用本文： | 雷哲锋,王发展,王欣,陈霞,王博.ZnMO(M=Cd,Mg)纳米管发光性能的第一性原理研究[J].人工晶体学报,2012,41(1):115-119,124. |
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| 作者姓名： | 雷哲锋 王发展 王欣 陈霞 王博 |
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| 作者单位： | 1. 西安建筑科技大学材料科学与工程学院,西安,710055
2. 西安建筑科技大学机电工程学院,西安,710055 |
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| 基金项目： | 陕西省自然科学基础研究计划重点项目，陕西省纳米材料与技术重点实验室项目，西安市产学研合作项目 |
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| 摘 要： | 采用热蒸发法制备得到掺Cd量为3.3at%的ZnO纳米管,室温光致发光谱(PL)显示,由于Cd的掺入,ZnCdO纳米管的紫外近带边发射(UV NBE)从纯ZnO的3.26 eV红移到3.20 eV附近。应用基于密度泛函理论研究锯齿型(9,0)ZnMO(M=Cd,Mg)单壁纳米管的电子结构。分析发现Cd掺杂纳米管与薄膜相似,能隙随掺杂量增加逐渐减小,出现红移;而Mg掺杂纳米管则不同,能带变化没有规律性。
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| 关 键 词： | ZnO纳米管 Cd掺杂 Mg掺杂 红移 |
First-principles Study on the Luminescence Properties of ZnMO ( M =Cd, Mg) Nanotubes |
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| LEI Zhe-feng
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WANG Fa-zhan
,
WANG Xin
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CHEN Xia
,
WANG Bo.First-principles Study on the Luminescence Properties of ZnMO ( M =Cd, Mg) Nanotubes[J].Journal of Synthetic Crystals,2012,41(1):115-119,124. |
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| Authors: | LEI Zhe-feng WANG Fa-zhan WANG Xin CHEN Xia WANG Bo |
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| Institution: | 1.School of Materials Science and Engineering,Xi’an University of Architecture & Technology,Xi’an 710055,China;2.School of Mechanical and Electrical Engineering,Xi’an University of Architecture & Technology,Xi’an 710055,China)(Received 6 July 2011,accepted 17 November 2011) |
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| Abstract: | The Cd-doped ZnO nano tubes with Cd content of about 3.3a%at were synthesized by Thermal Evaporation Method.The room-temperature photoluminescence(PL) spectra shows that the ultra-violet(UV) near-band-edge(NBE) emission of the ZnCdO nanotubes exhibit a slight red shift from 3.26 eV to 3.20 eV,which is attributed to Cd substitution.Then based on the density functional theory,the electronic structure of zigzag(9,0) single-wall ZnMO(M=Cd,Mg) nanotubes were studied.The calculated results show that,like in film,the Eg of Cd doped ZnO nanotube gradually decrease follow the doping amounts increased,appear red-shift;the Mg-doped nanotubes is different,the Eg was changed. |
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| Keywords: | ZnO nanotubes Cd-doped Mg-doped red-shift |
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