Half-filled metal and molecular-orbital-mediated pairing in cuprate

Abstract

The cuprates exhibit anomalous momentum-space structure with antinodal gap and nodal arc in the underdoped regime, which evolves into a complete hole-type Fermi surface with a large Luttinger volume in the overdoped regime. The real-space electronic structure is also quite complex, as characterized by microscopic inhomogeneities and intertwined density wave orders. Here we show that doped holes in cuprate form localized electronic molecules consisting of 4a0 plaquettes, and each plaquette contains approximately two holes. The effective local doping level is thus around 1/8, which is sufficient to destroy the underlying AF order and more importantly, recovers the half-filled metallic state of the original CuO2 plane. The restored Fermi surface, hosting one hole per unit cell, is consistent with experimental results and satisfies the Luttinger theorem. We then construct the momentum-space structure of the half-filled metal by considering the real-space configuration of electronic molecules. We show that the electronic potential with 4a0 periodicity imposed by the plaquettes and the quantum size effect of electronic molecules obliterate the nested antinodal Fermi surface sheets, leaving behind short arcs with coherent quasiparticles around the node. We propose that two doped holes in each plaquette occupy the shared molecular orbital and form a spin singlet, which can mediate the pairing of itinerant holes on the remnant Fermi surface of the half-filled metal. The electric dipole moment between the molecular orbitals and the dopant ions may also provide a novel attractive interaction between itinerant holes. This phenomenological model for pair formation between itinerant holes on the half-filled Fermi surface mediated by localized molecular orbitals resolves several core issues concerning the mechanism of superconductivity in cuprates.