氧化锌纳米线的稳定性和电子性质

Stabilities and electronic properties of ZnO nanowires

作者：童巧英(盐城师范学院新能源与电子工程学院)；谢建明(盐城师范学院新能源与电子工程学院)；庄国策(盐城师范学院新能源与电子工程学院)

Author：TONG Qiao-Ying(College of New Energy and Electronic Engineering, Yancheng Teachers University)；XIE Jian-Ming(College of New Energy and Electronic Engineering, Yancheng Teachers University)；ZHUANG Guo-Ce(College of New Energy and Electronic Engineering, Yancheng Teachers University)

收稿日期：2017-07-01 年卷（期）页码：2018,55(6):1251-1254

期刊名称：四川大学学报: 自然科学版

Journal Name：Journal of Sichuan University (Natural Science Edition)

关键字：纳米线；稳定性；电子性质；密度泛函理论

Key words：Nanowire; Stability; Electronic property; Density functional theory

基金项目：国家自然科学基金

中文摘要

运用第一性原理方法研究了四种尺寸的ZnO纳米线的结构稳定性和电子性质. 结果表明，纳米线的稳定性随着尺寸的增大而增大. 所有ZnS纳米线显示了直接带隙半导体特性. 由于量子尺寸效应，纳米线的带隙比纤锌矿体材料的带隙大，并且随着纳米线直径的增大而减小.

英文摘要

The structural stabilities and electronic properties of four kinds of ZnO nanowires (NWs) are investigated by using first-principles approaches. It shows that the stability of ZnO NWs increases as the size increases. The band gaps of ZnO NWs become larger than that of the corresponding bulk wurtzite ZnO due to quantum size effect, and decrease as the size increases.

【关闭】

论文摘要

氧化锌纳米线的稳定性和电子性质

Stabilities and electronic properties of ZnO nanowires