Tuning Electronic Structure and Magnetic Properties of Flat Stanene by Hydrogenation and Al/P Doping: A First Principle DFT Study

A Stanene, is a two-dimensional material composed of tin atoms arranged in single hexagonal layer, manner similar to graphene. First principle studies based on density functional theory were performed investigate the effects hydrogenation and Al/P doping electronic structure magnetic properties stanene. Hydrogenation opens bandgap stanene changes it from nonmagnetic ferromagnetic through H 1s states Sn 5p hybridization. atom at hollow site prevent electrons adjacent connect so that inducing unpaired electrons. The combination increases its magnetization. sequence moment small large as follows: pure stanene, Al-doped P-doped hydrogenated controllable transformation metallic semiconductor key requirement for materials be used spintronic materials. Thus, these results may shed light designing stanene-based spintronics