非中心对称B20化合物HfSn的电子结构及多重能带交叉点的调控
Electronic structure of noncentrosymmetric B20 compound HfSn and tuning of multifold band-crossing points
AI总结：
本文用密度泛函和紧束缚模型研究B20相HfSn的电子结构，发现Γ点四重拓扑能带交叉，并证明应变与压力可将其调控至费米能级附近。
摘要：
我们对结晶为B20结构的锡化铪HfSn的电子结构进行了详细的理论研究，B20结构以丰富多样的物理性质和奇特的拓扑性质而闻名。这些材料的手性晶体结构保护了位于高对称点处的多重能带交叉。我们采用密度泛函方法揭示了HfSn能带结构和费米面拓扑的基本特征，并在此基础上建立了一个有效的紧束缚模型。该化合物在Γ点处表现出一个被钉扎的四重能带交叉。我们研究了可将此类交叉向费米能级移动的途径，为可能调控该化合物的性质提供了一种独特方法。具体而言，我们表明四重交叉的能量位置可以通过应变和压力等外部微扰轻松调控。考虑到该点携带大于一的拓扑电荷，这种调控具有重要意义。我们预计当前研究所提出的方法可用于研究一大类材料中受对称性保护的交叉。
英文摘要：
We present a detailed theoretical study of the electronic structure of hafnium tin HfSn crystallizing in a B$20$ structure, renowned for the diversity of physical and peculiar topological properties. The chiral crystal structure of these materials protects multifold band crossings located at high symmetry points. We employ density functional methods to reveal basic features of the band structure and Fermi surface topology of HfSn, on top of which an effective tight-binding model is built. The compound exhibits a fourfold band crossing pinned at the $Γ$ point. We investigate routes that can shift such crossings towards the Fermi level, offering a unique way to possibly tune the compound`s properties. Specifically, we show that the energy position of the fourfold crossing can be easily manipulated via external perturbations such as strain and pressure. Considering that this point carries a topological charge larger than one, such tuning is of great importance. We anticipate that the approach presented in the current study can be utilized to investigate symmetry protected crossings in a wide class of materials.
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