Tailoring the electronic and magnetic properties of monolayer SnO by B, C, N, O and F adatoms.

ABSTRACT: Recently, SnO has attracted more and more attention, because it is a bipolar electronic material holding great potential in the design of p-n junction. In this paper, we examine the effect of extrinsic point defects on modifying the electronic and magnetic properties of SnO using density functionals theory (DFT). The surface adatoms considered are B, C, N, O and F with a [He] core electronic configuration. All adatoms are found energetically stable. B, C, N and F adatoms will modify the band gap and introduce band gap states. In addition, our calculations show that N, B and F can introduce stable local magnetic moment to the lattice. Our results, therefore, offer a possible route to tailor the electronic and magnetic properties of SnO by surface functionalization, which will be helpful to

SUBMITTER: Tao J 

PROVIDER: S-EPMC5349556 | biostudies-literature | 2017 Mar

REPOSITORIES: biostudies-literature