Tunable Indirect to Direct Band Gap Transition of Monolayer Sc2CO2 by the Strain Effect
- Authors
- Lee, Youngbin; Cho, Sung Beom; Chung, Yong-Chae
- Issue Date
- Aug-2014
- Publisher
- AMER CHEMICAL SOC
- Keywords
- MXene; Sc2CO2; indirect to direct band gap transition; strain; optical nanodevice; DFT
- Citation
- ACS APPLIED MATERIALS & INTERFACES, v.6, no.16, pp.14724 - 14728
- Indexed
- SCIE
SCOPUS
- Journal Title
- ACS APPLIED MATERIALS & INTERFACES
- Volume
- 6
- Number
- 16
- Start Page
- 14724
- End Page
- 14728
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/159446
- DOI
- 10.1021/am504233d
- ISSN
- 1944-8244
- Abstract
- MXene has not yet been investigated in optical applications because it is a newly suggested two-dimensional material. In the present work, the first investigation of the prospects of MiXene as a novel optical nanodevice was done by applying strain to monolayer Sc2CO2 using first-principles density-functional theory. This singlelayer material experiences an indirect to direct band gap transition with variation of the band gap size at a relatively small critical strain of about 2%. The present work emphasizes that monolayer MXene can become a promising material for an optical nanodevice by modulating the band gap properties using strain engineering.
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