石墨烯纳米带器件缺陷边哈密顿量的局部修正

2018 IEEE International Conference on Electron Devices and Solid State Circuits (EDSSC) Pub Date : 2018-06-01 DOI:10.1109/EDSSC.2018.8487109

Shizhuo Ye, Sheng Chang, Hao Wang, Qijun Huang, Jin He, Yawei Lv, Chun Wei

{"title":"石墨烯纳米带器件缺陷边哈密顿量的局部修正","authors":"Shizhuo Ye, Sheng Chang, Hao Wang, Qijun Huang, Jin He, Yawei Lv, Chun Wei","doi":"10.1109/EDSSC.2018.8487109","DOIUrl":null,"url":null,"abstract":"The impact of edge defect on C-C bond is revealed to be localized in short range by ab initio calculation. Thus we propose a local modification method to construct the tight-bind (TB) Hamiltonian. Except for the edge parameter correction, this method considers the local C-C bond distortion and the diversity of different armchair GNRs. It is demonstrated that this method significantly reduces TB fitting errors with two typical GNR edge defects. In addition, using the modified Hamiltonian, device simulation results are shown.","PeriodicalId":279745,"journal":{"name":"2018 IEEE International Conference on Electron Devices and Solid State Circuits (EDSSC)","volume":"28 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Local Modification of Defective Edge Hamiltonian for Graphene Nanoribbon Devices\",\"authors\":\"Shizhuo Ye, Sheng Chang, Hao Wang, Qijun Huang, Jin He, Yawei Lv, Chun Wei\",\"doi\":\"10.1109/EDSSC.2018.8487109\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The impact of edge defect on C-C bond is revealed to be localized in short range by ab initio calculation. Thus we propose a local modification method to construct the tight-bind (TB) Hamiltonian. Except for the edge parameter correction, this method considers the local C-C bond distortion and the diversity of different armchair GNRs. It is demonstrated that this method significantly reduces TB fitting errors with two typical GNR edge defects. In addition, using the modified Hamiltonian, device simulation results are shown.\",\"PeriodicalId\":279745,\"journal\":{\"name\":\"2018 IEEE International Conference on Electron Devices and Solid State Circuits (EDSSC)\",\"volume\":\"28 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2018-06-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"2018 IEEE International Conference on Electron Devices and Solid State Circuits (EDSSC)\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1109/EDSSC.2018.8487109\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"2018 IEEE International Conference on Electron Devices and Solid State Circuits (EDSSC)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/EDSSC.2018.8487109","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}

引用次数: 1

摘要

通过从头计算发现，边缘缺陷对C-C键的影响在短范围内是局域的。因此，我们提出了一种构造紧约束哈密顿量的局部修正方法。除了边缘参数校正外，该方法还考虑了局部C-C键畸变和不同扶手椅型gnr的多样性。结果表明，该方法可显著降低两种典型GNR边缘缺陷的TB拟合误差。此外，利用修正的哈密顿量，给出了器件的仿真结果。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Local Modification of Defective Edge Hamiltonian for Graphene Nanoribbon Devices

The impact of edge defect on C-C bond is revealed to be localized in short range by ab initio calculation. Thus we propose a local modification method to construct the tight-bind (TB) Hamiltonian. Except for the edge parameter correction, this method considers the local C-C bond distortion and the diversity of different armchair GNRs. It is demonstrated that this method significantly reduces TB fitting errors with two typical GNR edge defects. In addition, using the modified Hamiltonian, device simulation results are shown.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

2018 IEEE International Conference on Electron Devices and Solid State Circuits (EDSSC)

自引率

0.00%

发文量