beta-RhPb2: A topological superconductor candidate
beta-RhPb2: A topological superconductor candidate
复制标题
beta-RhPb2：拓扑超导体候选者
DOI：
10.1103/physrevb.99.045110
复制
发表时间：
2019
影响因子：
3.7
通讯作者：
Lu Zhong-Yi
中科院分区：
文献类型：
--
作者：
Zhang Jian Feng;Guo Peng Jie;Gao Miao;Liu Kai;Lu Zhong-Yi
通过使用第一原理电子结构计算来预测拓扑超导体候选者。我们的计算表明，在布里渊区点的费米能级周围存在能带反转。计算出的非零拓扑不变量表明这是在弯曲费米能级上定义的拓扑绝缘体。平板计算进一步证明，无带隙非平凡拓扑表面态（TSS）不会与体态重叠，并且它们穿过费米能级。声子计算证实了其动态稳定性，而电子声子耦合（EPC）计算预测其超导转变温度可达9.7 K。非平凡拓扑能带结构与跨越费米能级的TSS的共存以及液氦温度以上的超导表明该层状化合物是一种拓扑超导体，值得进一步的实验验证。
A topological superconductor candidateis predicted by using first-principles electronic structure calculations. Our calculations show that there is a band inversion around the Fermi level at thepoint of Brillouin zone. The calculated nonzero topological invariantindicates thatis a topological insulator defined on a curved Fermi level. Slab calculations further demonstrate that the gapless nontrivial topological surface states (TSS) are not overlapped by the bulk states and they cross the Fermi level. Phonon calculations confirm the dynamical stability of, while electron-phonon coupling (EPC) calculations predict that the superconducting transition temperatureofcan reach 9.7 K. The coexistence of nontrivial topological band structure with the TSS crossing the Fermi level as well as the superconductingabove the liquid-helium temperature suggest that the layered compoundis a topological superconductor, which deserves further experimental verification.