Square transition-metal carbides MC6 (M = Mo, W) as stable two-dimensional Dirac cone materials
文献类型：期刊论文
| 作者 | Hou, L; Bo, T; Wu, Y; Liu, PF ; Shi WQ(石伟群); Chai ZF(柴之芳); Lan JH(蓝建慧); Wu QY(吴群燕); Wang CZ(王聪芝); Huang PW(黄品文)
|
| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 2018 |
| 卷号 | 20期号:2页码:732-737 |
| ISSN号 | 1463-9076 |
| DOI | 10.1039/c7cp07466b |
| 文献子类 | Article |
| 英文摘要 | Searching for new two-dimensional (2D) Dirac cone materials has been popular since the exfoliation of graphene. Herein, based on density functional theory, we predict a novel family of 2D Dirac cone materials in square transition-metal carbides MC6 (M = Mo, W) which show inherent stability confirmed by phonon spectrum analysis and ab initio molecular dynamics calculations. The Dirac point, located exactly at the Fermi level, mainly arises from the hybridization of M-d(z2,x2-y2) and C-p(z) orbitals which gives rise to an ultrahigh Fermi velocity comparable to that of graphene. Moreover, strong spin-orbit coupling related to M-d electrons can generate large band gaps of 35 and 89 meV for MoC6 and WC6 monolayers, respectively, which allows MC6 materials to be operable at room temperature (26 meV), as candidates for nanoelectronics in the upcoming post-silicon era. The conceived novel stable metal-carbon framework materials provide a platform for designing 2D Dirac cone materials. |
| 电子版国际标准刊号 | 1463-9084 |
| WOS关键词 | SPIN HALL INSULATOR ; ORGANIC TOPOLOGICAL INSULATORS ; LOCALIZED WANNIER FUNCTIONS ; ELECTRONIC-PROPERTIES ; GRAPHENE ALLOTROPE ; QUANTUM ; MONOLAYER ; MXENES ; LATTICES ; PHASE |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000419219700003 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/285522]  |
| 专题 | 高能物理研究所_东莞分部 高能物理研究所_多学科研究中心 中国科学院高能物理研究所_中国散裂中子源 |
| 作者单位 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Hou, L,Bo, T,Wu, Y,et al. Square transition-metal carbides MC6 (M = Mo, W) as stable two-dimensional Dirac cone materials[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2018,20(2):732-737. |
| APA | Hou, L.,Bo, T.,Wu, Y.,Liu, PF.,石伟群.,...&Xu, JP.(2018).Square transition-metal carbides MC6 (M = Mo, W) as stable two-dimensional Dirac cone materials.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,20(2),732-737. |
| MLA | Hou, L,et al."Square transition-metal carbides MC6 (M = Mo, W) as stable two-dimensional Dirac cone materials".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20.2(2018):732-737. |
入库方式： OAI收割
来源：高能物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。