Nearly perfect Fermi surface nesting in hole-doped La₃Ni₂O₇ enables bulk superconductivity without pressure or strain
By combining density functional theory, dynamical mean-field theory, and the random phase approximation to solve the superconducting gap equation, researchers have discovered that hole-doped layered nickel oxide La₃₋ₓSrₓNi₂O₇ can achieve bulk superconductivity under ambient pressure. When the doping concentration x approaches 0.4, the γ Fermi pocket derived from the Ni-d₃z²₋r² orbital evolves from a circular to a diamond shape and expands to half the Brillouin zone, forming a nearly perfect Fermi surface nesting with an optimal nesting vector Q=(π, π). This structure significantly enhances antiferromagnetic spin fluctuations, elevating the superconducting eigenvalue to experimentally observable levels without the need for high pressure or strain. This work elucidates the mechanism by which hole doping modulates the shape and size of the Fermi pocket, providing a theoretical foundation and an experimentally feasible pathway for realizing the long-sought bulk superconductivity in such materials under ambient conditions.