From zigzag to armchair: the energetic stability, electronic and   magnetic properties of chiral graphene nanoribbons with   hydrogen-terminated edges

doi:10.1088/0953-8984/23/42/425301

CORC > 北京大学 > 信息科学技术学院

	From zigzag to armchair: the energetic stability, electronic and magnetic properties of chiral graphene nanoribbons with hydrogen-terminated edges
	Sun, Lili ; Wei, Peng ; Wei, Jianhua ; Sanvito, Stefano ; Hou, Shimin
刊名	journal of physics condensed matter
	2011
关键词	CARBON NANOTUBES
DOI	10.1088/0953-8984/23/42/425301
英文摘要	The energetic stability, electronic and magnetic properties of chiral graphene nanoribbons (GNRs) with hydrogen-terminated edges are investigated using density functional theory. Our calculations show that the percentage of carbon atoms at the zigzag sites (P-z) is the key factor determining the electronic and magnetic properties of chiral GNRs. Within the local spin density approximation, chiral GNRs with P-z >= 50% have a semiconducting antiferromagnetic ground state. Otherwise, chiral GNRs are spin degenerate semiconductors. Thus, the critical chiral angle for the occurrence of spin polarization is determined to be 13.9 degrees. In contrast to the antiferromagnetic state that is independent of the width of GNRs investigated, size effects occur for the ferromagnetic metastable state. These findings are helpful for the design of GNR-based spintronic devices.; http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000296157900003&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=8e1609b174ce4e31116a60747a720701 ; Physics, Condensed Matter; SCI(E); EI; PubMed; 16; ARTICLE; 42; 425301; 23
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/151840]
专题	信息科学技术学院
推荐引用方式 GB/T 7714	Sun, Lili,Wei, Peng,Wei, Jianhua,et al. From zigzag to armchair: the energetic stability, electronic and magnetic properties of chiral graphene nanoribbons with hydrogen-terminated edges[J]. journal of physics condensed matter,2011.
APA	Sun, Lili,Wei, Peng,Wei, Jianhua,Sanvito, Stefano,&Hou, Shimin.(2011).From zigzag to armchair: the energetic stability, electronic and magnetic properties of chiral graphene nanoribbons with hydrogen-terminated edges.journal of physics condensed matter.
MLA	Sun, Lili,et al."From zigzag to armchair: the energetic stability, electronic and magnetic properties of chiral graphene nanoribbons with hydrogen-terminated edges".journal of physics condensed matter (2011).