Novel 3D metallic boron nitride containing only sp(2) bonds
文献类型：期刊论文
| 作者 | Wang, H; Zhang, W; Huai, P |
| 刊名 | JOURNAL OF PHYSICS D-APPLIED PHYSICS
 |
| 出版日期 | 2017 |
| 卷号 | 50期号:38页码:- |
| 关键词 | Carbon Nanotubes 1st-principles Phase Nanoribbons Borazine Bn |
| ISSN号 | 0022-3727 |
| DOI | 10.1088/1361-6463/aa7fa1 |
| 文献子类 | 期刊论文 |
| 英文摘要 | 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. |
| WOS关键词 | CARBON NANOTUBES ; 1ST-PRINCIPLES ; PHASE ; NANORIBBONS ; BORAZINE ; BN |
| 语种 | 英语 |
| WOS记录号 | WOS:000408689300002 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/28749]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017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):-. |
入库方式： OAI收割
来源：上海应用物理研究所
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