Topological phase transition in half-Heusler compounds HfIrX (X = As, Sb, Bi)

Topological phase transition in half-Heusler compounds HfIrX (X = As, Sb, Bi)
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半赫斯勒化合物 HfIrX(X = As、Sb、Bi)中的拓扑相变

DOI:
10.1016/j.commatsci.2016.08.005
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发表时间:
2016-11
影响因子:
3.3
通讯作者:
Wei, JunHong
Wei, JunHong
中科院分区:
材料科学3区
文献类型:
--
作者:
Wang, Guangtao;Wei, JunHong

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研究了半-Heusler化合物HfIrX(X=As,Sb,Bi)的晶格常数和原子替代可调拓扑相变。在平衡立方晶体结构下,除SOC外,HfIrAs和HfIrBi是拓扑非平凡的半金属,而HfIrSb是平凡的拓扑绝缘体。这是因为“内压”将SΓ1带抬升到HfIrSb的p型Γ5带之上。当加入SOC时,HfIrAs和HfIrSb分别成为拓扑绝缘体和正常带状绝缘体,而HfIrBi仍然是拓扑型半金属。当我们在HfIrBi的ab面上施加压应力时,它变成了Weyl半金属,在(±Kx,0,±Kz),(0,±Ky,±Kz),Kx=Ky=0.023?−1,Kz=0.108?−1处有8个Weyl点(Wps)。
We studied the lattice constant and atoms substitution tunable topological phase transition in the half-Heusler compounds HfIrX (X= As, Sb, Bi). At the equilibrium cubic crystal structure and excluding SOC, HfIrAs and HfIrBi are topological nontrivial semimetal, while HfIrSb is a trivial topological insulator. This is because that the “internal pressure” lifts the s-type Γ 1 band above p-type Γ 5 bands in HfIrSb. When SOC is included, HfIrAs and HfIrSb become topological insulator, and normal band insulator, respectively, while HfIrBi is still a topological semimetal. When we induce compressive stress in the ab-plane of HfIrBi, it becomes a Weyl semimetal, with eight Weyl-Points (WPS) at (±K x, 0,±K z),(0,±K y,±K z), K x= K y= 0.023 Å− 1, K z= 0.108 Å− 1.
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