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


ABSTRACT: The miniaturization of future electronic devices requires the knowledge of interfacial properties between two-dimensional channel materials and high-? 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 Al2O3 monolayer. We predict that planar Al2O3 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-? 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 Al2O3 monolayer and graphene are large enough for electronic applications. Our results not only predict a stable high-? oxide monolayer, but also improve the understanding of interfacial properties between a high-? dielectric monolayer and two-dimensional material.

SUBMITTER: Song TT 

PROVIDER: S-EPMC4933898 | biostudies-other | 2016 Jul

REPOSITORIES: biostudies-other

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

Song Ting Ting TT   Yang Ming M   Chai Jian Wei JW   Callsen Martin M   Zhou Jun J   Yang Tong T   Zhang Zheng Z   Pan Ji Sheng JS   Chi Dong Zhi DZ   Feng Yuan Ping YP   Wang Shi Jie SJ  

Scientific reports 20160706


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 Al2O3 monolayer. We predict that planar Al2O3 monolayer is globally stable with a direct band gap  ...[more]

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