Please use this identifier to cite or link to this item: https://doi.org/10.1038/srep29107
Title: Exploring Ag(111) substrate for epitaxially growing monolayer stanene: A first-principles study
Authors: Gao, J
Zhang, G
Zhang, Y.-W 
Keywords: behavior
calculation
diffusion
height
low temperature
Issue Date: 2016
Citation: Gao, J, Zhang, G, Zhang, Y.-W (2016). Exploring Ag(111) substrate for epitaxially growing monolayer stanene: A first-principles study. Scientific Reports 6 : 29107. ScholarBank@NUS Repository. https://doi.org/10.1038/srep29107
Rights: Attribution 4.0 International
Abstract: Stanene, a two-dimensional topological insulator composed of Sn atoms in a hexagonal lattice, is a promising contender to Si in nanoelectronics. Currently it is still a significant challenge to achieve large-area, high-quality monolayer stanene. We explore the potential of Ag(111) surface as an ideal substrate for the epitaxial growth of monolayer stanene. Using first-principles calculations, we study the stability of the structure of stanene in different epitaxial relations with respect to Ag(111) surface, and also the diffusion behavior of Sn adatom on Ag(111) surface. Our study reveals that: (1) the hexagonal structure of stanene monolayer is well reserved on Ag(111) surface; (2) the height of epitaxial stanene monolayer is comparable to the step height of the substrate, enabling the growth to cross the surface step and achieve a large-area stanene; (3) the perfect lattice structure of free-standing stanene can be achieved once the epitaxial stanene monolayer is detached from Ag(111) surface; and finally (4) the diffusion barrier of Sn adatom on Ag(111) surface is found to be only 0.041 eV, allowing the epitaxial growth of stanene monolayer even at low temperatures. Our above revelations strongly suggest that Ag(111) surface is an ideal candidate for growing large-area, high-quality monolayer stanene.
Source Title: Scientific Reports
URI: https://scholarbank.nus.edu.sg/handle/10635/178892
ISSN: 20452322
DOI: 10.1038/srep29107
Rights: Attribution 4.0 International
Appears in Collections:Elements
Staff Publications

Show full item record
Files in This Item:
File Description SizeFormatAccess SettingsVersion 
10_1038_srep29107.pdf4.32 MBAdobe PDF

OPEN

NoneView/Download

Google ScholarTM

Check

Altmetric


This item is licensed under a Creative Commons License Creative Commons