Magnetic properties of the semifluorinated and semihydrogenated 2D sheets of group-IV and III-V binary compounds

• DOI: 10.1016/j.apsusc.2011.04.042
• Publication Date: 2011-04-20T06:02:28Z
• Authors: Yandong Ma; Ying Dai; Meng Guo; Chengwang Niu; Lin Yu; Baibiao Huang
• Keywords: 0103 physical sciences; 01 natural sciences

Abstract By performing first-principles calculations, the intriguing electronic and magnetic properties of the semidecorated sheets of group-IV and III-V binary compounds are investigated. Our results indicate that the semifluorinated and semihydrogenated ab (ab = SiC, GeC, SnC, BN, AlN, and GaN) sheets exhibit diverse electronic and magnetic properties. Accordingly, the electronic and magnetic properties of the semidecorated sheets can be precisely modulated by controlling the adsorbed atoms on the a sites. Further, the preference of ferromagnetic or antiferromagnetic coupling can be attributed to the combined effects of both through-bond spin polarization and p–p direct interaction for the semidecorated ab sheets.