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 | Liu, Peng-Fei1,2; Wu, Yang1,2; Bo, Tao1,2; Hou, Ling1,2; Xu, Juping1,2; Zhang, Hui-jie1,2; Wang, Bao-Tian1,2 |
| 刊名 | Physical chemistry chemical physics
 |
| 出版日期 | 2018-01-14 |
| 卷号 | 20期号:2页码:732-737 |
| ISSN号 | 1463-9076 |
| DOI | 10.1039/c7cp07466b |
| 通讯作者 | Wang, bao-tian(wangbt@ihep.ac.cn) |
| 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. |
| 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 |
| WOS类目 | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
| 语种 | 英语 |
| 出版者 | ROYAL SOC CHEMISTRY |
| WOS记录号 | WOS:000419219700003 |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2177875 |
| 专题 | 高能物理研究所 |
| 通讯作者 | Wang, Bao-Tian |
| 作者单位 | 1.Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China 2.Dongguan Neutron Sci Ctr, Dongguan 523803, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Peng-Fei,Wu, Yang,Bo, Tao,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 | Liu, Peng-Fei.,Wu, Yang.,Bo, Tao.,Hou, Ling.,Xu, Juping.,...&Wang, Bao-Tian.(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 | Liu, Peng-Fei,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. |
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