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Topological electronic states in HfRuP family superconductors
npj Computational Materials ( IF 9.4 ) Pub Date : 2019-12-10 , DOI: 10.1038/s41524-019-0260-6
Yuting Qian , Simin Nie , Changjiang Yi , Lingyuan Kong , Chen Fang , Tian Qian , Hong Ding , Youguo Shi , Zhijun Wang , Hongming Weng , Zhong Fang

Based on the first-principles calculations and experimental measurements, we report that the hexagonal phase of ternary transition metal pnictides TT’X (T=Zr, Hf; T’=Ru; X=P, As), which are well-known noncentrosymmetric superconductors with relatively high transition temperatures, host nontrivial bulk topology. Before the superconducting phase transition, we find that HfRuP belongs to a Weyl semimetal phase with 12 pairs of type-II Weyl points, while ZrRuAs, ZrRuP and HfRuAs belong to a topological crystalline insulating phase with trivial Fu-Kane \({{\mathbb{Z}}}_{2}\) indices but nontrivial mirror Chern numbers. High-quality single crystal samples of the noncentrosymmetric superconductors with these two different topological states have been obtained and the superconductivity is verified experimentally. The wide-range band structures of ZrRuAs have been identified by ARPES and reproduced by theoretical calculations. Combined with intrinsic superconductivity, the nontrivial topology of the normal state may generate unconventional superconductivity in both bulk and surfaces. Our findings could largely inspire the experimental searching for possible topological superconductivity in these compounds.



中文翻译:

HfRuP系列超导体中的拓扑电子态

基于第一性原理计算和实验测量,我们报告了三元过渡金属肽TT'X(T = Zr,Hf; T'= Ru; X = P,As)的六方相,这是众所周知的非中心对称的过渡温度较高的超导体具有非平凡的本体拓扑结构。在超导相变之前,我们发现HfRuP属于具有12对II型Weyl点的Weyl半金属相,而ZrRuAs,ZrRuP和HfRuAs属于具有简单Fu-Kane \({ {Z}}} _ {2} \)索引,但镜像的Chern数很重要。获得了具有这两种不同拓扑状态的非中心对称超导体的高质量单晶样品,并通过实验验证了超导性。ZrRuAs的宽带结构已通过ARPES进行了鉴定,并通过理论计算得到了再现。结合固有的超导性,正常状态的非平凡拓扑可在体和表面中产生非常规的超导性。我们的发现可以极大地启发实验寻找这些化合物中可能的拓扑超导性。

更新日期:2019-12-10
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