期刊论文

Zhang, Z. H.

英文

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

1463-9076

2017

19

6

4469-4477

10.1039/c6cp06909f

National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [61371065, 11674039, 51302022]; Hunan Provincial Natural Science Foundation of ChinaNatural Science Foundation of Hunan Province [12JJ3004, 2015JJ3002, 2015JJ2009, 2015JJ2013]; Scientific Research Fund of Hunan Provincial Education DepartmentHunan Provincial Education Department [14A013]; Hunan Provincial Innovation Foundation for Postgraduate [CX2015B375]

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The structural and magneto-electronic properties and electric field-mediated effects for zigzag boron nitride nanoribbons (ZBNNRs) terminated with typical transition metal (TM) atoms (TM-ZBNNRs) are investigated systematically. Our work demonstrates that ZBNNRs form strong bonds with all studied termination atoms. The strong interactions and large orbital hybridizations of TM atoms to the ribbon make the magnetic anisotropy enhanced significantly, favorably to stabilize magnetism. The spin-split features for such hybridized structures can occur in most of the magnetic configurations, leading t...