First-principles prediction of an intrinsic half-metallic graphitic hydrogenated carbon nitride

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	First-principles prediction of an intrinsic half-metallic graphitic hydrogenated carbon nitride
	Qiu, HH ; Wang, ZJ ; Sheng, XL
刊名	PHYSICS LETTERS A
	2013
卷号	377 期号:3-4 页码:347
关键词	Half-metallicity Graphitic hydrogenated carbon nitride First-principles calculation
ISSN号	0375-9601
通讯作者	Sheng, XL (reprint author), Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Inst Phys, 8,3rd South St, Beijing 100190, Peoples R China.
中文摘要	The electronic properties of an experimentally realized graphitic carbon nitride (g-C3N3) layer has been studied via first-principles calculations. Unlike the recently reported ferromagnetic g-C4N3 structure, the g-C3N3 system is nonmagnetic. Based on the two-dimensional g-C3N3 structure, we predicts a new graphitic hydrogenated carbon nitride (g-H3C3N3) for the first time, which shows 100% half-metallic property around Fermi energy. It would be a kind of important material in spintronics if it could be synthesized experimentally in the future. Crown Copyright (C) 2012 Published by Elsevier B.V. All rights reserved.
资助信息	Chinese Postdoctoral Science Foundation [2012M520423]; Institute of Physics, Chinese Academy of Sciences
语种	英语
公开日期	2014-01-16
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/57024]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Qiu, HH,Wang, ZJ,Sheng, XL. First-principles prediction of an intrinsic half-metallic graphitic hydrogenated carbon nitride[J]. PHYSICS LETTERS A,2013,377(3-4):347.
APA	Qiu, HH,Wang, ZJ,&Sheng, XL.(2013).First-principles prediction of an intrinsic half-metallic graphitic hydrogenated carbon nitride.PHYSICS LETTERS A,377(3-4),347.
MLA	Qiu, HH,et al."First-principles prediction of an intrinsic half-metallic graphitic hydrogenated carbon nitride".PHYSICS LETTERS A 377.3-4(2013):347.