Ferromagnetic ordering in cobalt doped methylammonium lead bromide: An ab-initio study

Ferromagnetic ordering has been theoretically observed in Co-doped methylammonium lead bromide (MAPbBr(3)) using first principles approach for the first time. The methylammonium lead bromide system with Co-doping at Pb-site along with Pb-vacancy becomes a p-type semiconductor with significantly large magnetic moment. The spin polarized total and partial density of states (DOS) have been analysed to find out the source of the induced magnetic moment. Spin-spin interaction investigation reveals that the magnetism in Co-doped MAPbBr(3) system favours ferromagnetic spin-ordering. This direct band gap Co-doped MAPbBr(3) could be a suitable material for spintronics application. (c) 2019 Elsevier B.V. All rights reserved.