Herein, a novel and economical one‐dimensional infinite monatomic zinc wire (1D‐IMZW) is designed, and its structural and electronic properties are investigated by using density functional theory. It is found that this zinc nanowire can be stabilized by the Zn−Zn bonding interaction between the adjacent Zn atoms. From the band structure and the density of states, it is discovered that the 1D‐IMZW is a typical semiconductor material. Moreover, the 1D‐IMZW exhibits strong absorption across the entire visible range.

中文翻译：

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具有优异电子性能的新型一维无限单原子锌丝的理论研究

本文设计了一种新颖且经济的一维无限单原子锌丝（1​​D-IMZW），并使用密度泛函理论研究了其结构和电子性能。已经发现，该锌纳米线可以通过相邻的Zn原子之间的Zn-Zn键相互作用而稳定。从能带结构和状态密度，我们发现1D-IMZW是一种典型的半导体材料。此外，一维IMZW在整个可见光范围内都表现出强大的吸收能力。