Novel 3D metallic boron nitride containing only sp(2) bonds

doi:10.1088/1361-6463/aa7fa1

CAS OpenIR > 中科院上海应用物理研究所2011-2018年

	Novel 3D metallic boron nitride containing only sp(2) bonds
	Wang, H; Zhang, W; Huai, P
	2017
发表期刊	JOURNAL OF PHYSICS D-APPLIED PHYSICS
ISSN	0022-3727
卷号	50 期号:38 页码:-
文章类型	期刊论文
摘要	As the closest isoelectronic analogue of carbon, boron nitride (BN) shares a similar structure with carbon from 1D nanotubes, 2D nanosheets, and 3D diamond structures. However, most BN structures are insulators, which limits their application. In this work, under the inspiration of the sp(2) hybridized carbon honeycomb, we propose a hexagonal phase of BN consisting of only sp(2) bonds, which exhibits intriguingly intrinsic metallicity. First-principles calculations confirm that this phase is both thermally and dynamically stable. Moreover, the calculations on the band structure, partial density states and electron localization function suggest that the metallic behavior is attributable to the delocalized B-2p electrons, leading to second-neighbor interaction between the p(z) states of sp(2)-bonded B atoms in adjacent layers. Our findings not only enrich the BN allotrope family with 3D structures but also stimulate further experimental interest in applications of metallic BN in electronic devices.
关键词	Carbon Nanotubes 1st-principles Phase Nanoribbons Borazine Bn
DOI	10.1088/1361-6463/aa7fa1
关键词[WOS]	CARBON NANOTUBES ; 1ST-PRINCIPLES ; PHASE ; NANORIBBONS ; BORAZINE ; BN
收录类别	SCI
语种	英语
WOS记录号	WOS:000408689300002
引用统计
文献类型	期刊论文
条目标识符	http://ir.sinap.ac.cn/handle/331007/28749
专题	中科院上海应用物理研究所2011-2018年
推荐引用方式 GB/T 7714	Wang, H,Zhang, W,Huai, P. Novel 3D metallic boron nitride containing only sp(2) bonds[J]. JOURNAL OF PHYSICS D-APPLIED PHYSICS,2017,50(38):-.
APA	Wang, H,Zhang, W,&Huai, P.(2017).Novel 3D metallic boron nitride containing only sp(2) bonds.JOURNAL OF PHYSICS D-APPLIED PHYSICS,50(38),-.
MLA	Wang, H,et al."Novel 3D metallic boron nitride containing only sp(2) bonds".JOURNAL OF PHYSICS D-APPLIED PHYSICS 50.38(2017):-.

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