CAS OpenIR  > 中科院上海应用物理研究所2011-2019年
Novel 3D metallic boron nitride containing only sp(2) bonds
Wang, H; Zhang, W; Huai, P
2017
Source PublicationJOURNAL OF PHYSICS D-APPLIED PHYSICS
ISSN0022-3727
Volume50Issue:38Pages:-
Subtype期刊论文
AbstractAs 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.
KeywordCarbon Nanotubes 1st-principles Phase Nanoribbons Borazine Bn
DOI10.1088/1361-6463/aa7fa1
Indexed BySCI
WOS KeywordCARBON NANOTUBES ; 1ST-PRINCIPLES ; PHASE ; NANORIBBONS ; BORAZINE ; BN
Language英语
WOS IDWOS:000408689300002
Citation statistics
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/28749
Collection中科院上海应用物理研究所2011-2019年
Recommended Citation
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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