期刊论文

Zhang, Z. H.

英文

Journal of Materials Chemistry C

2050-7526

2015

3

37

9657-9663

10.1039/c5tc01673h

National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [61371065, 61201080, 51302022]; Hunan Provincial Natural Science Foundation of ChinaNatural Science Foundation of Hunan Province [2015JJ3002, 2015JJ2009, 2015JJ2013]; Scientific Research Fund of Hunan Provincial Education DepartmentHunan Provincial Education Department [14A013]; Construct Program of the Key Discipline in Hunan Province; Aid Program for Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province

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Exploring half-metallic nanostructures with a high Curie temperature and a wide half-metallic gap is a crucial solution for developing high-performance spintronic devices. Using the first-principles method, we design a new magnetic structure based on edge modification of armchair-edged graphene nanoribbons by Mn and F atoms (AGNR-Mn-F2). It is found that such a structure is an excellent half-metal with a wide bandgap (∼1.2 eV) and a stable magnetic ordering by a very high Curie temperature (Tc > 700 K) as well as being predicted to stably exis...