Two elementary band representation model, Fermi surface nesting, and surface topological superconductivity in $A$V$_{3}$Sb$_ {5}$ ($A = \text{K, Rb, Cs}$)

TL;DR

This paper models the electronic structure of $A$V$_{3}$Sb$_{5}$ Kagome metals using elementary band representations, revealing Fermi surface nesting, charge density wave tendencies, and topological superconductivity with potential for Majorana physics.

Contribution

It introduces a two-EBR model capturing key band topology and Fermi surface features, linking them to CDW and superconductivity in Kagome metals.

Findings

Fermi surface nesting peaks at L points align with CDW patterns.

Strong antiferromagnetic fluctuations indicated by susceptibility peaks.

Surface states exhibit nontrivial superconducting gaps with potential Majorana modes.

Abstract

The recently discovered vanadium-based Kagome metals $A$V$_{3}$Sb$_{5}$ ($A = \text{K, Rb, Cs}$) are of great interest with the interplay of charge density wave (CDW) order, band topology and superconductivity. In this paper, by identifying elementary band representations (EBRs), we construct a two-EBR graphene-Kagome model to capture the two low-energy van-Hove-singularity dispersions and, more importantly, the nontrivial band topology in these Kagome metals. This model consists of $A_g@3g$ (V-$d_{x^2-y^2/z^2}$, Kagome sites) and $A_2''@2d$ EBRs (Sb1-$p_z$, honeycomb sites). We have investigated the Fermi surface instability by calculating the electronic susceptibility $\chi(\mathbf{q})$. Prominent Fermi-surface nesting peaks are obtained at three L points, where the $z$ component of the nesting vector shows intimate relationship with the anticrossing point along M--L. The nesting peaks at L are consistent with the $2\times 2\times 2$ CDW reconstruction in these compounds. In addition, the sublattice-resolved bare susceptibility is calculated and similar sharp peaks are observed at the L points, indicating a strong antiferromagnetic fluctuation. Assuming a bulk $s$-wave superconducting pairing, helical surface states and nontrivial superconducting gap are obtained on the (001) surface. In analogous to FeTe$_{1-x}$Se$_{x}$ superconductor, our results establish another material realization of a stoichiometric superconductor with nontrivial band topology, providing a promising platform for studying exotic Majorana physics in condensed matter