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Coexistence of superconductivity and topological phase in kagome metals ANb3Bi5 (A = K, Rb, Cs)
npj Computational Materials ( IF 9.7 ) Pub Date : 2024-05-08 , DOI: 10.1038/s41524-024-01291-w
Jianguo Si , Lanting Shi , Bozhu Chen , Huanhuan Yang , Jiyu Xu , Miao Liu , Sheng Meng

The AV3Sb5 prototype kagome materials have been demonstrated as a versatile platform for exploring exotic properties in condensed matter physics, including charge density waves, superconductivity, non-trivial electron topology, as well as topological superconductivity. Here we identify that ANb3Bi5 (A = K, Rb, Cs) exhibit non-trivial coexisting superconductivity and topological properties via first-principles calculations. The negative formation energy and the absence of imaginary phonon dispersion demonstrate both thermodynamics and dynamics stabilities of ANb3Bi5 (A = K, Rb, Cs) under ambient conditions. By analytically solving the Allen-Dynes-modified McMillan formula, the superconducting transition temperatures are predicted to be 2.11, 2.15 and 2.21 K for KNb3Bi5, RbNb3Bi5, and CsNb3Bi5, respectively. More importantly, the kagome materials proposed here can be classified into \({{\mathbb{Z}}}_{2}\) topological metals due to the non-trivial topological index and the obvious surface states around the Fermi level. Such coexistence of superconductivity and non-trivial band characters in ANb3Bi5 (A = K, Rb, Cs) offer us more insights to study the relationship between superconductivity and topological properties, and to design innate topological superconductors.



中文翻译:

Kagome 金属 ANb3Bi5 (A = K, Rb, Cs) 中超导性和拓扑相的共存

A V 3 Sb 5原型kagome材料已被证明是一个多功能平台可用于探索凝聚态物理中的奇异特性,包括电荷密度波、超导性、非平凡电子拓扑以及拓扑超导。在这里,我们 通过第一性原理计算确定了A Nb 3 Bi 5 ( A = K, Rb, Cs) 表现出非平凡的共存超导性和拓扑特性。负形成能和不存在虚声子色散证明了A Nb 3 Bi 5 ( A  = K, Rb, Cs) 在环境条件下的热力学和动力学稳定性。通过解析求解Allen-Dynes修正的McMillan公式,预测KNb 3 Bi 5、RbNb 3 Bi 5和CsNb 3 Bi 5的超导转变温度分别为2.11、2.15和2.21 K。更重要的是,由于非平凡的拓扑指数和费米能级周围明显的表面态,这里提出的kagome材料可以归类为\({{\mathbb{Z}}}_{2}\)拓扑金属。 A Nb 3 Bi 5 ( A = K, Rb, Cs)中超导性和非平凡能带特征的共存为 我们研究超导性和拓扑性质之间的关系以及设计先天拓扑超导体提供了更多的见解。

更新日期:2024-05-08
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