Coordination-resolved local bond contraction and electron binding-energy entrapment of Si atomic clusters and solid skins
Consistency between x-ray photoelectron spectroscopy measurements and density-function theory calculations confirms our bond order-length-strength notation-incorporated tight-binding theory predictions on the quantum entrapment of Si solid skin and atomic clusters. It has been revealed that bond-ord...
| Main Authors: | , , , , , , |
|---|---|
| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
2014
|
| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/98231 http://hdl.handle.net/10220/19615 |
| _version_ | 1811681511062110208 |
|---|---|
| author | Sun, Changqing Bo, Maolin Wang, Yan Huang, Yongli Zhang, Xi Zhang, Ting Li, Can |
| author2 | School of Electrical and Electronic Engineering |
| author_facet | School of Electrical and Electronic Engineering Sun, Changqing Bo, Maolin Wang, Yan Huang, Yongli Zhang, Xi Zhang, Ting Li, Can |
| author_sort | Sun, Changqing |
| collection | NTU |
| description | Consistency between x-ray photoelectron spectroscopy measurements and density-function theory calculations confirms our bond order-length-strength notation-incorporated tight-binding theory predictions on the quantum entrapment of Si solid skin and atomic clusters. It has been revealed that bond-order deficiency shortens and strengthens the Si-Si bond, which results in the local densification and quantum entrapment of the core and valence electrons. Unifying Si clusters and Si(001) and (111) skins, this mechanism has led to quantification of the 2p binding energy of 96.089 eV for an isolated Si atom, and their bulk shifts of 2.461 eV. Findings evidence the significance of atomic undercoordination that is of great importance to device performance. |
| first_indexed | 2024-10-01T03:42:06Z |
| format | Journal Article |
| id | ntu-10356/98231 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T03:42:06Z |
| publishDate | 2014 |
| record_format | dspace |
| spelling | ntu-10356/982312020-03-07T14:00:29Z Coordination-resolved local bond contraction and electron binding-energy entrapment of Si atomic clusters and solid skins Sun, Changqing Bo, Maolin Wang, Yan Huang, Yongli Zhang, Xi Zhang, Ting Li, Can School of Electrical and Electronic Engineering DRNTU::Engineering::Electrical and electronic engineering Consistency between x-ray photoelectron spectroscopy measurements and density-function theory calculations confirms our bond order-length-strength notation-incorporated tight-binding theory predictions on the quantum entrapment of Si solid skin and atomic clusters. It has been revealed that bond-order deficiency shortens and strengthens the Si-Si bond, which results in the local densification and quantum entrapment of the core and valence electrons. Unifying Si clusters and Si(001) and (111) skins, this mechanism has led to quantification of the 2p binding energy of 96.089 eV for an isolated Si atom, and their bulk shifts of 2.461 eV. Findings evidence the significance of atomic undercoordination that is of great importance to device performance. Published version 2014-06-10T04:08:19Z 2019-12-06T19:52:18Z 2014-06-10T04:08:19Z 2019-12-06T19:52:18Z 2014 2014 Journal Article Bo, M., Wang, Y., Huang, Y., Zhang, X., Zhang, T., Li, C., et al. (2014). Coordination-resolved local bond contraction and electron binding-energy entrapment of Si atomic clusters and solid skins. Journal of Applied Physics, 115(14), 144309-. https://hdl.handle.net/10356/98231 http://hdl.handle.net/10220/19615 10.1063/1.4871399 en Journal of applied physics © 2014 AIP Publishing LLC. This paper was published in Journal of Applied Physics and is made available as an electronic reprint (preprint) with permission of AIP Publishing LLC. The paper can be found at the following official DOI: [http://dx.doi.org/10.1063/1.4871399]. One print or electronic copy may be made for personal use only. Systematic or multiple reproduction, distribution to multiple locations via electronic or other means, duplication of any material in this paper for a fee or for commercial purposes, or modification of the content of the paper is prohibited and is subject to penalties under law. application/pdf |
| spellingShingle | DRNTU::Engineering::Electrical and electronic engineering Sun, Changqing Bo, Maolin Wang, Yan Huang, Yongli Zhang, Xi Zhang, Ting Li, Can Coordination-resolved local bond contraction and electron binding-energy entrapment of Si atomic clusters and solid skins |
| title | Coordination-resolved local bond contraction and electron binding-energy entrapment of Si atomic clusters and solid skins |
| title_full | Coordination-resolved local bond contraction and electron binding-energy entrapment of Si atomic clusters and solid skins |
| title_fullStr | Coordination-resolved local bond contraction and electron binding-energy entrapment of Si atomic clusters and solid skins |
| title_full_unstemmed | Coordination-resolved local bond contraction and electron binding-energy entrapment of Si atomic clusters and solid skins |
| title_short | Coordination-resolved local bond contraction and electron binding-energy entrapment of Si atomic clusters and solid skins |
| title_sort | coordination resolved local bond contraction and electron binding energy entrapment of si atomic clusters and solid skins |
| topic | DRNTU::Engineering::Electrical and electronic engineering |
| url | https://hdl.handle.net/10356/98231 http://hdl.handle.net/10220/19615 |
| work_keys_str_mv | AT sunchangqing coordinationresolvedlocalbondcontractionandelectronbindingenergyentrapmentofsiatomicclustersandsolidskins AT bomaolin coordinationresolvedlocalbondcontractionandelectronbindingenergyentrapmentofsiatomicclustersandsolidskins AT wangyan coordinationresolvedlocalbondcontractionandelectronbindingenergyentrapmentofsiatomicclustersandsolidskins AT huangyongli coordinationresolvedlocalbondcontractionandelectronbindingenergyentrapmentofsiatomicclustersandsolidskins AT zhangxi coordinationresolvedlocalbondcontractionandelectronbindingenergyentrapmentofsiatomicclustersandsolidskins AT zhangting coordinationresolvedlocalbondcontractionandelectronbindingenergyentrapmentofsiatomicclustersandsolidskins AT lican coordinationresolvedlocalbondcontractionandelectronbindingenergyentrapmentofsiatomicclustersandsolidskins |