论文标题
3D TMBI化合物的结构，电子和拓扑特性
Structural, electronic and topological properties of 3D TmBi compound
论文作者
论文摘要
使用基于密度函数理论的方法，我们报告了FCC晶体化合物TMBI的结构，电子和拓扑特性。发现该材料动态稳定，并显示出非磁性半学特征。通过调整自旋轨道耦合，我们观察到频带结构发生了显着变化，并且沿$γ-X $方向的频带反转发生。时间反向不变动量点和Wannier电荷中心计算的均等产品提供了拓扑索引$ z_ {2} = 1 $ $ k_ {j} = 0 $ plane（$ j = 1,2 $和$ 3 $），揭示了TMBI的非微不足道的拓扑特征。通过观察$ \ bar {x} $点的狄拉克锥体的观察确认了我们的发现，从而存在TMBI的拓扑保护表面状态。目前的工作可能会激发平台，以探索稀有地矩阵家族中的新拓扑状态。
Using density functional theory based methods we report the structural, electronic and topological properties of the FCC crystal compound TmBi. This material is found to be dynamically stable and shows a non magnetic semimetalic character. By tuning the spin-orbit coupling, we observe a significant change in the band structure, and the occurrence of band inversion along $Γ-X$ direction. The parity product at time-reversal invariant momentum points and the Wannier charge center calculations provide a topological index $Z_{2}=1$ on the $k_{j}=0$ plane (with $j=1,2$ and $3$) revealing the non trivial topological character of TmBi. The existence of topologically protected surface states of TmBi through the observation of a Dirac cones at $\bar{X}$ point confirm our finding. The present work could inspire platforms for exploring novel topological states within the family of rare-earth monobismuthides.
