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
ISSN0022-3727
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
DOI10.1088/1361-6463/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
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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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