Tunable Indirect to Direct Band Gap Transition of Monolayer Sc2CO2 by the Strain Effect
ACS Applied Materials & Interfaces2014Vol. 6(16), pp. 14724–14728
Citations Over TimeTop 10% of 2014 papers
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 MXene as a novel optical nanodevice was done by applying strain to monolayer Sc2CO2 using first-principles density-functional theory. This single-layer 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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