AVS 66th International Symposium & Exhibition
    2D Materials Wednesday Sessions
       Session 2D+EM+MI+MN+NS+QS-WeM

Paper 2D+EM+MI+MN+NS+QS-WeM10
Magnetic Interfaces of MnSe2 Monolayer

Wednesday, October 23, 2019, 11:00 am, Room A226

Session: Novel 2D Materials
Presenter: Tomas Rojas, Ohio University
Authors: T. Rojas, Ohio University
S. Ulloa, Ohio University
Correspondent: Click to Email
Until recently, 2D magnetism was thought to occur together with defects or doping on different substrates. This situation changed drastically, as intrinsic Cr-based ferromagnetic monolayer materials were discovered, namely CrI3 and Cr2Ge2Te6. A different material, MnSe2, was predicted as stable ferromagnetic monolayer by first-principles calculations, and it has been successfully grown on several substrates. In this study, the authors confirm the intrinsic ferromagnetism of the monolayer, while for thicker samples they report an interface of the MnSe2 monolayer with bulk α-MnSe(111). This phase of the material is non-magnetic, and yet the observed magnetic moments are of up to twice the value of those in the monolayer alone. In this work, we present a detailed analysis of the interactions at this interface between the two phases, using the Heyd-Scuseria-Ernzerhof hybrid functional. We have studied the effects on the electronic and magnetic structure of both phases of the material, and the dependence on the sample thickness. We study the role that strain plays at the interface, and how it affects the magnetic moments of the structure.

Supported by NSF-DMR 1508325, and Ohio Supercomputer Center .