Ferromagnetism in two-dimensional hole-doped SnO

• Main Authors: M. Houssa, K. Iordanidou, G. Pourtois, V. V. Afanas’ev, A. Stesmans
• Format: Article
• Language: English
• Published: AIP Publishing LLC 2018-05-01
• Series: AIP Advances
• Online Access: http://dx.doi.org/10.1063/1.5025272

Hole-doped monolayer SnO has been recently predicted to be a ferromagnetic material, for a hole density typically above 5x1013/cm2. The possibility to induce a hole-doped stable ferromagnetic order in this two-dimensional material, either by intrinsic or extrinsic defects, is theoretically studied, using first-principles simulations. Sn vacancies and Sn vacancy-hydrogen complexes are predicted to be shallow acceptors, with relatively low formation energies in SnO monolayers grown under O-rich conditions. These defects produce spin-polarized gap states near the valence band-edge, potentially stabilizing the ferromagnetic order in 2D SnO. Hole-doping resulting from substitutional doping is also investigated. Among the considered possible dopants, As, substituting O, is predicted to produce shallow spin-polarized gap states near the valence band edge, also potentially resulting in a stable ferromagnetic order in SnO monolayers.