The stability of aluminium oxide monolayer and its interface with two-dimensional materials

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題名:	The stability of aluminium oxide monolayer and its interface with two-dimensional materials
作者:	森馬丁;Song, Ting Ting;Yang, Ming;Chai, Jian Wei;Callsen, Martin;Zhou, Jun;Yang, Tong;Zhang, Zheng;Pan, Ji Sheng;Chi, Dong Zhi;Feng, Yuan Ping;Wang, Shi Jie
貢獻者:	理學院物理學系
關鍵詞:	639/301/357/1018;639/766/119/544;639/925/357/995;Aluminum;Dielectric properties;Electrical properties;Graphene;Humanities and Social Sciences;multidisciplinary;Principles;Science;Simulation
日期:	2016-07-06
上傳時間:	2026-04-23 14:41:45 (UTC+8)
出版者:	Nature Publishing Group;London: Nature Publishing Group UK
摘要:	摘要： The miniaturization of future electronic devices requires the knowledge of interfacial properties between two-dimensional channel materials and high- κ dielectrics in the limit of one atomic layer thickness. In this report, by combining particle-swarm optimization method with first-principles calculations, we present a detailed study of structural, electronic, mechanical, and dielectric properties of Al 2 O 3 monolayer. We predict that planar Al 2 O 3 monolayer is globally stable with a direct band gap of 5.99 eV and thermal stability up to 1100 K. The stability of this high- κ oxide monolayer can be enhanced by substrates such as graphene, for which the interfacial interaction is found to be weak. The band offsets between the Al 2 O 3 monolayer and graphene are large enough for electronic applications. Our results not only predict a stable high- κ oxide monolayer, but also improve the understanding of interfacial properties between a high- κ dielectric monolayer and two-dimensional material. 其他題名： Sci Rep 出版者： London: Nature Publishing Group UK 出版日期： 2016-07-06 出處： Scientific reports, 2016-07, Vol.6 (1), p.29221, Article 29221 資源來源： Springer Nature Link 版權： The Author(s) 2016 版權： Copyright Nature Publishing Group Jul 2016 版權： Copyright © 2016, Macmillan Publishers Limited 2016 Macmillan Publishers Limited 識別號： ISSN: 2045-2322 識別號： EISSN: 2045-2322 識別號： DOI: 10.1038/srep29221 識別號： PMID: 27381580
顯示於類別:	[物理學系] 期刊論文

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