Electronic structure of noncentrosymmetric B20 compound HfSn and tuning of multifold band-crossing points
arxiv(2024)
摘要
We present a detailed theoretical study of the electronic structure of
hafnium tin HfSn crystallizing in a B20 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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