Tunable Indirect to Direct Band Gap Transition of Monolayer Sc2CO2 by the Strain Effect
- Title
- Tunable Indirect to Direct Band Gap Transition of Monolayer Sc2CO2 by the Strain Effect
- Author
- 정용재
- Keywords
- MXene; Sc2CO2; indirect to direct band gap transition; strain; optical nanodevice
- Issue Date
- 2014-08
- Publisher
- AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
- Citation
- ACS APPLIED MATERIALS & INTERFACES, 2014, 6(16), p14724 ~ 14728
- 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.
- URI
- http://pubs.acs.org/doi/10.1021/am504233dhttp://hdl.handle.net/20.500.11754/48097
- ISSN
- 1944-8252
- DOI
- 10.1021/am504233d
- Appears in Collections:
- COLLEGE OF ENGINEERING[S](공과대학) > MATERIALS SCIENCE AND ENGINEERING(신소재공학부) > Articles
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