paper

Electronic Theory for Scanning Tunneling Microscopy Spectra in Infinite-Layer Nickelate Superconductors

arXiv:2108.03916 · doi:10.1103/PhysRevB.104.144504

Abstract

Recent scanning tunneling microscopy (STM) observation of U-shaped and V-shaped spectra (and their mixture) in superconducting NdSrNiO thin films has been interpreted as presence of two distinct gap symmetries in this nickelate superconductor [Gu et al., Nat. Comm. 11, 6027 (2020)]. Here, using a two-band model of nickelates capturing dominant contributions from Ni- and rare-earth (R)- orbitals, we show that the experimental observation can be simply explained within a pairing scenario characterized by a conventional -wave gap structure with lowest harmonic on the Ni-band and a -wave gap with higher-harmonics on the R-band. We perform realistic simulations of STM spectra employing first-principles Wannier functions to properly account for the tunneling processes and obtain V, U, and mixed spectral line-shapes depending on the position of the STM tip within the unit cell. The V- and U-shaped spectra are contributed from Ni and R-bands, respectively, and Wannier functions, in essence, provide position-dependent weighing factors, determining the spectral line-shape at a given intra-unit cell position. We propose a phase-sensitive experiment to distinguish between the proposed -wave gap structure and time-reversal symmetry breaking gap which yields very similar intra-unit cell spectra.

10 pages, 8 Figures

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