| 二维Ta4C3O2电子结构的拓扑性质 |
| |
| 引用本文： | 吴有银,梁云烨.二维Ta4C3O2电子结构的拓扑性质[J].上海师范大学学报(自然科学版),2023,52(5):609-615. |
| |
| 作者姓名： | 吴有银 梁云烨 |
| |
| 作者单位： | 1. 上海师范大学 数理学院, 上海 200234 |
| |
| 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 |
| 收稿时间： | 2023/9/1 0:00:00 |
The topological properties of electronic structures in two-dimensional Ta4C3O2 |
| |
| WU Youyin,LIANG Yunye.The topological properties of electronic structures in two-dimensional Ta4C3O2[J].Journal of Shanghai Normal University(Natural Sciences),2023,52(5):609-615. |
| |
| Authors: | WU Youyin LIANG Yunye |
| |
| Institution: | 1. Mathematics and Science College, Shanghai Normal University, Shanghai 200234, China |
| |
| 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. |
| |
| Keywords: | MXenes topological insulators electronic structures first-principles calculations |
|
| 点击此处可从《上海师范大学学报(自然科学版)》浏览原始摘要信息 |
| 点击此处可从《上海师范大学学报(自然科学版)》下载免费的PDF全文 |
