First-Principles Prediction of Structure and Properties of the Cu2TeO6 Monolayer

In this work, first-principles calculations have been utilized to predict the existence of a new Cu2TeO6 monolayer. It is shown that predicted material dynamically and thermally stable. The monolayer also found be narrow band gap semiconductor with size 0.20 eV. Considering obtained properties monolayer, it proposed for applications in various nanodevices electronics straintronics.