二维Ta_(4)C_(3)O_(2)电子结构的拓扑性质  

The topological properties of electronic structures in two-dimensional Ta_(4)C_(3)O_(2)

作　　者：吴有银 梁云烨 WU Youyin;LIANG Yunye(Mathematics and Science College,Shanghai Normal University,Shanghai 200234,China)

机构地区：[1]上海师范大学数理学院,上海200234

出　　处：《上海师范大学学报（自然科学版）》2023年第5期609-615,共7页Journal of Shanghai Normal University(Natural Sciences)

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Ta_(4)C_(3)O_(2)的电子结构可能具有拓扑性质,而Ta_(4)C_(3)已被成功制备,Ta_(4)C_(3)O_(2)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.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 Ta_(4)C_(3)O_(2) is topological non-trivial.Ta_(4)C_(3) has been synthesized and Ta_(4)C_(3)O_(2) can be fabricated by the surface functionalization of Ta_(4)C_(3).These results help us to understand the topological properties of MXenes and pave the way for the future applications.

关 键 词：MXenes材料 拓扑绝缘体 电子结构性质 第一性原理计算 

分 类 号：TU528.41[建筑科学—建筑技术科学]