Strain-tunable direct band gap of ZnO monolayer in graphene-like honeycomb structure

Abstract

Using full-potential density functional calculations within local density approximation (LDA), we found mechanically tunable band-gap in ZnO monolayer (ML-ZnO) in graphene-like honeycomb structure, by simulated application of in-plane homogeneous biaxial strain. Unstrained ML-ZnO was found to have a direct band gap of energy 1.68 eV within LDA; the actual band gap would be more, since LDA is known to underestimate the gap. Within our simulated strain limit of about plus or minus 10%, the band gap remains direct and shows a strong non-linear variation with strain. The results may find applications in future nano-electromechanical systems (NEMS) and nano-optomechanial systems (NOMS).

6 pages, 3 figures

References in corpus (1)

• Structural and Electronic Properties of Graphene and Silicene: An FP-(L)APW+lo Study

Cited by in corpus (3)

• Strain-tunable band gap of a monolayer graphene analogue of ZnS monolayer
• Emerging Two-dimensional Materials: graphene and its other structural analogues
• Graphene and Some of its Structural Analogues: Full-potential Density Functional Theory Calculations