Journal
MATERIALS RESEARCH EXPRESS
Volume 2, Issue 12, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/2053-1591/2/12/125006
Keywords
first-principles calculation; spin-semiconducting; graphene nanoribbon
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Funding
- Natural Science Foundation of China [11174079]
- National Basic Research Program of China (973) [2012CB921401]
- Shuguang Program of Shanghai Education Committee
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The electronic and magnetic properties of zigzag graphene nanoribbons with asymmetric notches along their edges are investigated by first principle density functional theory calculations. It is found that the electronic and magnetic properties of the asymmetrically-notched graphene nanoribbons are closely related with the depth of notches, but weakly dependent on the length of notches. As the relative depth of notch increases, the energy level of spin-up and spin-down becomes greatly shifted, associated with the gradual increase of magnetic momentum. The asymmetric band shift allows the asymmetrically notched graphene nanoribbons to be a spin semiconductor, through which an N- or P-type spin-semiconductor can be obtained by doping B or N atoms.
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