Structure-property relation in the cuprates: a possible explanation for the pseudogap

Abstract

We propose a structure-property relation that could be key to the pseudogap phenomenology in cuprates. The underlying nonsymmorphic crystal structure in the low-temperature orthogonal phase endows the lattice with a sublattice structure that gives rise to two electronic bands near the Fermi surface. In the presence of spin-orbit coupling, the hybridization of these two bands generates small Fermi pockets and, correspondingly, a change in the number of free carriers. A sublattice structure also leads to angle-resolved photoemission spectroscopy (ARPES) matrix-element interference, naturally explaining the emergence of Fermi arcs and their consistency with closed Fermi pockets. We employ a symmetry analysis to highlight the expected Fermi surface properties, and complement it with density functional theory (DFT) for a quantitative discussion and comparison with recent experiments in doped La₂CuO₄. The proposed mechanism can consistently account for the most salient features of the pseudogap in the cuprates, namely, the Fermi surface reconstruction with the formation of small Fermi pockets and the corresponding change in carrier density, and the observation of Fermi arcs by ARPES.