کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5373029 | 1504198 | 2016 | 7 صفحه PDF | دانلود رایگان |
- Multilayer silicon nanoribbons are investigated theoretically.
- The bare nanoribbons are metallic when the number of layer is no less than three.
- Edge- and surface hydrogen-passivation cause metal-semiconductor transition.
- The transition is explained with frontier wavefunctions.
- The full hydrogen-passivated nanoribbon has carrier mobilities of 103Â cm2Â Vâ1Â sâ1.
Multilayer silicon nanoribbons constructed with an armchair silicene nanoribbon are investigated based on density functional theory calculations. The bare nanoribbons are metallic except for the mono- or double-layer samples. The partially occupied frontier bands are contributed by near-degenerate surface and edge states. Edge-hydrogen atoms passivate the edge states and full hydrogenation causes a metal-semiconductor transition. These are all explained using frontier wavefunctions. A six-layer full hydrogen-passivated silicon nanoribbon has a band gap larger than that of bulk silicon, and its hole and electron mobilities are also on the order of 103Â cm2Â Vâ1Â sâ1, implying potential application in small-size logic devices.
251
Journal: Chemical Physics - Volumes 469â470, 1â13 May 2016, Pages 72-78