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Electronic and Magnetic Properties of Borophene Nanoribbons Fanchen Meng,1 Xiangnan Chen,2 and Jian He1,* 1. Department of Physics and Astronomy, Clemson University, Clemson, SC 29634-0978 USA 2. School of Materials Science and Engineering, Southwest Jiaotong University, Chengdu, 610031, China Abstract The groundbreaking works in graphene and graphene nanoribbons (GNRs) over the past decade, and the very recent discovery of borophene naturally draw attention to the yet-to-be-explored borophene nanoribbons (BNRs). We herein report a density functional theory (DFT) study of BNRs. The focus is on the impact of orientation (denoted as BxNRs and ByNRs along x- and y-axis, respectively), ribbon width (Nx, Ny = 4 to 12), and edge states (with and without hydrogenation) on the geometric, electronic and magnetic properties of BNR. We found that the anisotropic quasi-planar geometric structure of BNR and the edge states largely govern its electronic and magnetic properties. In particular, pristine ByNRs adopt an anti- ferromagnetic (AFM) ground state along with a ferromagnetic (FM) meta- stable state, while pristine BxNRs are non-magnetic (NM). Upon hydrogenation, all BNRs studied herein exhibit NM. Interestingly, both pristine and hydrogenated ByNRs undergo a metal-semiconductor-metalPDF Image | Magnetic Properties of Borophene Nanoribbons
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