摘要： The exfoliation of graphene triggered dramatic interest to explore other two-dimensional materials for functionalizing future nanoelectronic devices. In this study, via first-principles calculations, we predict a stable planar Y 2 O 3 (111) monolayer with a direct band gap of 3.96 eV. This high- κ dielectric monolayer can be further stabilized by a graphene substrate. The interaction between the planar Y 2 O 3 (111) monolayer and graphene is found to be weak and dominated by van der Waals interactions, while the electronic properties are determined by orbital hybridization and electrostatic interaction. Our results indicate that a high- κ dielectric monolayer can be formed on a substrate with weak interfacial interaction via a physical deposition process, and this sheds light on engineering extremely thin high- κ dielectrics on graphene-based electronics with desired properties. In this study, via first-principles calculations, we predict a stable planar Y 2 O 3 (111) monolayer with a direct band gap of 3.96 eV. This high- κ dielectric monolayer can be further stabilized by a graphene substrate. 出版日期： 2015-10-02 出處： RSC advances, 2015-10, Vol.5 (12), p.83588-83593 資源來源： Royal Society of Chemistry 識別號： ISSN: 2046-2069 識別號： EISSN: 2046-2069 識別號： DOI: 10.1039/c5ra16621g
