| 摘要: |
| 过渡金属碳化物和氮化物也被称为MXenes材料,是一类具有独特性质的新型二维材料.经第一性原理计算发现,二维Ta4C3O2的电子结构可能具有拓扑性质,而Ta4C3已被成功制备,Ta4C3O2可通过表面功能化实现制备.这些结果将为研究MXenes材料的拓扑性质提供有利借鉴,也为今后的实际应用奠定基础. |
| 关键词: MXenes材料 拓扑绝缘体 电子结构性质 第一性原理计算 |
| DOI：10.3969/J.ISSN.1000-5137.2023.05.010 |
| 分类号:TU 528.41 |
| 基金项目: |
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| The topological properties of electronic structures in two-dimensional Ta4C3O2 |
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WU Youyin, LIANG Yunye
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Mathematics and Science College, Shanghai Normal University, Shanghai 200234, China
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| Abstract: |
| Transition metal carbides and nitrides, also known as MXenes, are a class of two-dimensional materials with unique properties. In this paper, the first-principles calculations show that the electronic structure of two-dimensional Ta4C3O2 is topological non-trivial. Ta4C3 has been synthesized and Ta4C3O2 can be fabricated by the surface functionalization of Ta4C3. These results help us to understand the topological properties of MXenes and pave the way for the future applications. |
| Key words: MXenes topological insulators electronic structures first-principles calculations |
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