论文标题
具有拓扑超导性和电荷密度波的大型Kagome家庭候选人
Large kagome family candidates with topological superconductivity and charge density waves
论文作者
论文摘要
一组新发现的非磁性金属kagome结构AV3SB5（a = k，rb，cs）由于其异常的电荷密度波（CDW）和相互交织的超导性而引起了对实验和理论的广泛兴趣。但是，它们都具有弱电子偶联（EPC）和低导导过渡温度。在这里，我们对具有AV3SB5原型结构的新型Kagome候选者进行了高通量的第一原理计算，并提出了24种动态稳定的新型Kagome金属。基于Bardeen-Cooper-Schrieffer理论的计算表明，这些金属中的大多数是EPC强得多的超导体，其超导过渡温度TC在0.3至5.0K之间。此外，几种化合物，例如最高TC的KZR3PB5，被鉴定为Z2拓扑金属，其透明狄拉克锥拓扑表面态在费米水平附近。 NAZR3AS5显示出可能具有CDW相。我们的结果提供了丰富的平台，可通过原型kagome结构探索各种新物理，其中超导性和非平凡拓扑性的共存提供了有关发现拓扑超导体的有希望的见解。
A group of newly discovered non-magnetic metal kagome structures AV3Sb5 (A=K, Rb, Cs) have aroused widespread interest in experiment and theory due to their unusual charge density wave (CDW) and intertwined superconductivity. However, they all possess weak electron-phonon coupling (EPC) and low superconducting transition temperature. Here, we performed high-throughput first-principles calculations on novel kagome candidates with AV3Sb5 prototype structure, and proposed 24 dynamically stable novel kagome metals. The calculation based on Bardeen-Cooper-Schrieffer theory shows that most of these metals are superconductors with much stronger EPC than the reported AV3Sb5 materials, and their superconducting transition temperatures Tc is between 0.3 and 5.0K. Additionally, several compounds, such as KZr3Pb5 with the highest Tc, are identified as Z2 topological metals with clear Dirac cone topological surface states near Fermi level. NaZr3As5 is shown to have possible CDW phases. Our results provide rich platforms for exploring various new physics with the prototype kagome structure, in which the coexistence of superconductivity and nontrivial topological nature provides promising insights on the discovery of topological superconductors.
