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

We present ab initio calculations which show that the direct-band-gap, effective masses and Fermi velocities of charge carriers in ZnO monolayer (ML-ZnO) in graphene-like honeycomb structure are all tunable by application of in-plane homogeneous biaxial strain. Within our simulated strain limit of +/- 10%. the band gap remains direct and shows a strong non-linear variation with strain. Moreover, the average Fermi velocity of electrons in unstrained ML-ZnO is of the same order of magnitude as that in graphene. The results promise potential applications of ML-ZnO in mechatronics/straintronics and other nano-devices such as the nano-electromechanical systems (NEMS) and nano-optomechanical systems (NOMS). (C) 2012 Elsevier B.V. All rights reserved.