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| Novel 3D metallic boron nitride containing only sp(2) bonds | |
| Wang, H; Zhang, W; Huai, P | |
| 2017 | |
| Source Publication | JOURNAL OF PHYSICS D-APPLIED PHYSICS
 |
| ISSN | 0022-3727 |
| Volume | 50Issue:38Pages:- |
| Subtype | 期刊论文 |
| Abstract | 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. |
| Keyword | Carbon Nanotubes 1st-principles Phase Nanoribbons Borazine Bn |
| DOI | 10.1088/1361-6463/aa7fa1 |
| Indexed By | SCI |
| WOS Keyword | CARBON NANOTUBES ; 1ST-PRINCIPLES ; PHASE ; NANORIBBONS ; BORAZINE ; BN |
| Language | 英语 |
| WOS ID | WOS:000408689300002 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.sinap.ac.cn/handle/331007/28749 |
| Collection | 中科院上海应用物理研究所2011-2020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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| Novel 3D metallic bo（1551KB） | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Download | |
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