QuantumATK在半导体和微电子工业研究中的应用—名企系列论文（1）铜纳米线的电子输运特性

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摘要

文章（PHYSICAL REVIEW B 92, 115413 (2015)）使用密度泛函理论以及密度泛函紧束缚近似模型，对直径约 1 nm 和 3 nm 的铜纳米线的不同晶向和表面端基原子的电子输运性质进行了研究。发现无论何种直径、晶向、端基原子均不影响其金属性。电子透射强烈的依赖于晶向和端基原子，沿 [110] 方向的铜纳米线透射最强。与无端面的纳米线相比，表面氧化纳米线的电子透射显著降低。

文章计算了每种情况的单位面积透射；对给定晶向，文章指出对于无端基原子的纳米线，该数值随着直径增大而降低，而表面氧化纳米线对直径的依赖则不大（至少对于本文研究的直径范围是如此）。对透射路径的分析表明，无端基原子纳米线表面的透射强于内部；纳米线表面的透射，会由于表面氧化而显著降低。本文基于透射路径的结果，提出了解释单位面积输运与与直径的依赖关系的一个简单模型。

FIG. 1. (Color online) Structures of the geometry optimized 1-nm NWs. (a)–(c) show the unterminated [100], [110], and [111] NWs, (d)–(f) show the respective O-terminated NWs. Cu is orange and O is red.

FIG. 1. (Color online) Structures of the geometry optimized 1-nm NWs. (a)–(c) show the unterminated [100], [110], and [111] NWs, (d)–(f) show the respective O-terminated NWs. Cu is orange and O is red.

FIG. 2. (Color online) Structures of the geometry optimized O-terminated 3-nm NWs. (a)–(c) show the [100], [110], and [111] NWs, respectively. Cu is orange and O is red.

FIG. 2. (Color online) Structures of the geometry optimized O-terminated 3-nm NWs. (a)–(c) show the [100], [110], and [111] NWs, respectively. Cu is orange and O is red.

 

参考文献

Electron transport properties of sub-3-nm diameter copper nanowires

Sarah L. T. Jones1, Alfonso Sanchez-Soares1, John J. Plombon2, Ananth P. Kaushik2, Roger E. Nagle3, James S. Clarke2, and James C. Greer1,*

1Tyndall National Institute, University College Cork, Dyke Parade, Cork, Ireland
2Intel Corporation, Hillsboro, Oregon 97124, USA
3Intel Ireland, Collinstown, Leixlip, Co. Kildare, Ireland

PHYSICAL REVIEW B 92, 115413 (2015)

参考

更多半导体领域的应用方案和实例见：http://www.fermitech.com.cn/vnl-atk/semiconductor/

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