期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 116, 期 1, 页码 208-213出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp207788t
关键词
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资金
- NSFC [21073096]
- MOE NCET [08-0293]
- Innovation Team [IRT0927]
- Fundamental Research Funds for the Central Universities
- NSF [EPS-1010094]
- University of Puerto Rico
- National Science Foundation through TeraGrid resources
- EPSCoR
- Office Of The Director [1010094] Funding Source: National Science Foundation
Inspired by the experimentally observed zigzag-armchair graphene nanoribbon heterojunctions, we constructed a new class of infinitely long hybrid graphene nanoribbons (HGNRs), and systematically investigated their electronic and magnetic properties by means of spin-polarized first-principles computations. HGNRs are converted from nonmagnetic semiconductors to magnetic semiconductors by increasing the length of zigzag segments. In particular, half metallicity can be achieved in HGNRs under external transverse electric fields. These results suggest that the introduction of armchair impurity will not affect the desired electronic and magnetic properties of zigzag graphene nanoribbons.
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