Sr2NbO4: A 4d analogue of the layered perovskite Sr2VO4
Abstract
This work focuses on the layered perovskite Sr2NbO4, a 4d analogue of Sr2VO4, which remains an unsolved puzzle with a possible intriguing hidden magnetic order. Using density functional theory (DFT) calculations, we demonstrate the robust thermodynamic stability and exfoliability of Sr2NbO4, suggesting potential applications as a 2D material. Imperfect Fermi surface nesting indicates instabilities that may drive symmetry lowering, charge/orbital density waves, or superconductivity. Dynamical mean-field theory (DMFT) calculations reveal moderate mass renormalization (m*/m1.3) and an itinerant character of magnetism with strong longitudinal spin fluctuations. The exchange interaction is dominated by in-plane ferromagnetic coupling with much weaker interlayer antiferromagnetic exchange.
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