Two-dimensional hexagonal m3c2 (m = zn, cd and hg) monolayers: novel quantum spin hall insulators and dirac cone materials
文献类型：期刊论文
| 作者 | Liu, Peng-Fei1,2,3; Zhou, Liujiang4,5; Tretiak, Sergei4,5; Wu, Li-Ming1 |
| 刊名 | Journal of materials chemistry c
 |
| 出版日期 | 2017-09-21 |
| 卷号 | 5期号:35页码:9181-9187 |
| ISSN号 | 2050-7526 |
| DOI | 10.1039/c7tc02739g |
| 通讯作者 | Zhou, liujiang(liujiang86@gmail.com) |
| 英文摘要 | The intriguing dirac cones in honeycomb graphene have motivated the search for novel twodimensional (2d) dirac materials. based on density functional theory and the global particle-swarm optimization method, herein, we predict a new family of 2d materials in honeycomb transition-metal carbides m3c2 (m = zn, cd and hg) with intrinsic dirac cones. the m3c2 monolayer is a kinetically stable state with a linear geometry (cqmqc), which to date has not been observed in other transition-metal-based 2d materials. the intrinsic dirac cones in the zn3c2, cd3c2 and hg3c2 monolayers arise from p-d band hybridizations. importantly, the hg3c2 monolayer is a room-temperature 2d topological insulator with a sizable energy gap of 44.3 mev. when an external strain is applied, additional phases with node-line semimetal states emerge in the m3c2 monolayer. these novel stable transition-metal-carbon-framework materials hold great promise for 2d electronic device applications. |
| WOS关键词 | AUGMENTED-WAVE METHOD ; NONTRIVIAL BAND-GAPS ; TOPOLOGICAL INSULATORS ; BLACK PHOSPHORUS ; EPITAXIAL-GROWTH ; HIGH-STABILITY ; GRAPHENE ; TRANSITION ; SURFACE ; MOS2 |
| WOS研究方向 | Materials Science ; Physics |
| WOS类目 | Materials Science, Multidisciplinary ; Physics, Applied |
| 语种 | 英语 |
| WOS记录号 | WOS:000410680500034 |
| 出版者 | ROYAL SOC CHEMISTRY |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2177049 |
| 专题 | 高能物理研究所 |
| 通讯作者 | Zhou, Liujiang |
| 作者单位 | 1.Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China 2.Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China 3.Dongguan Neutron Sci Ctr, Dongguan 523803, Peoples R China 4.Los Alamos Natl Lab, Div Theoret, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA 5.Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA |
| 推荐引用方式 GB/T 7714 | Liu, Peng-Fei,Zhou, Liujiang,Tretiak, Sergei,et al. Two-dimensional hexagonal m3c2 (m = zn, cd and hg) monolayers: novel quantum spin hall insulators and dirac cone materials[J]. Journal of materials chemistry c,2017,5(35):9181-9187. |
| APA | Liu, Peng-Fei,Zhou, Liujiang,Tretiak, Sergei,&Wu, Li-Ming.(2017).Two-dimensional hexagonal m3c2 (m = zn, cd and hg) monolayers: novel quantum spin hall insulators and dirac cone materials.Journal of materials chemistry c,5(35),9181-9187. |
| MLA | Liu, Peng-Fei,et al."Two-dimensional hexagonal m3c2 (m = zn, cd and hg) monolayers: novel quantum spin hall insulators and dirac cone materials".Journal of materials chemistry c 5.35(2017):9181-9187. |
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