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dc.contributor.authorChang, Shen-Linen_US
dc.contributor.authorWu, Bi-Ruen_US
dc.contributor.authorYang, Po-Huaen_US
dc.contributor.authorLin, Ming-Faen_US
dc.date.accessioned2019-04-03T06:40:17Z-
dc.date.available2019-04-03T06:40:17Z-
dc.date.issued2016-01-01en_US
dc.identifier.issn2046-2069en_US
dc.identifier.urihttp://dx.doi.org/10.1039/c6ra08372ben_US
dc.identifier.urihttp://hdl.handle.net/11536/133981-
dc.description.abstractGeometric, magnetic and electronic properties of folded graphene nanoribbons (GNRs) are investigated by first-principles calculations. These properties are mainly dominated by the competition or cooperation among stacking, curvature and edge effects. For the folded zigzag GNRs, the more stable structures are revealed to be AB stackings, while for the armchair types, AA' stackings are more stable. The interlayer interactions and hybridization of four orbitals lead to smaller energy gaps, anti-crossing bands, and more band-edge states. Specifically, the edge atoms, with the different magnetic environments, in the odd-zAB-stacked folded zigzag GNRs are responsible for the spin-up and spin-down splitting subbands. All folded GNRs are direct-gap semiconductors except that the edge-edge interactions cause the even-zAA-stacked folded zigzag GNRs to exhibit a pair of metallic linear bands. The width-dependent energy gaps in the folded armchair GNRs can be classified into six categories. Furthermore, there exist rich features in density of states, including the form, number, intensity and energy of the special structures.en_US
dc.language.isoen_USen_US
dc.titleGeometric, magnetic and electronic properties of folded graphene nanoribbonsen_US
dc.typeArticleen_US
dc.identifier.doi10.1039/c6ra08372ben_US
dc.identifier.journalRSC ADVANCESen_US
dc.citation.volume6en_US
dc.citation.issue69en_US
dc.citation.spage64852en_US
dc.citation.epage64860en_US
dc.contributor.department電子物理學系zh_TW
dc.contributor.departmentDepartment of Electrophysicsen_US
dc.identifier.wosnumberWOS:000379442400076en_US
dc.citation.woscount5en_US
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