Fig. 2: Muon stopping site and ab initio prediction in RbV3Sb5.
From: Depth-dependent study of time-reversal symmetry-breaking in the kagome superconductor AV3Sb5
a Zero-field μSR time spectra in the bulk of RbV3Sb5 at two temperatures, above and below TCO. The light green curve represents the ab initio prediction in the absence of electronic moments. The dashed black line is obtained by displacing the muon from its equilibrium position by only 0.03 Å, which restores almost perfect agreement with the experimental results. b The muon site, indicated by the red ball located between the in-plane Sb1 and the Rb atom in RbV3Sb5, was obtained using the DFT+μ method. The figure also shows the displacement of the nearest neighbor Sb atom from the kagome plane formed by V atoms.
