2D ferromagnetism in layered inorganic-organic hybrid perovskites

Abstract

Employing a combination of first-principles density functional theory and a solution of a generalized spin Hamiltonian, we predict finite-temperature ferromagnetism in a yet-to-be synthesized two-dimensional monolayer of Cu spins, derived out of the layered structure of inorganic-organic hybrid perovskites. The computed cleavage energies are found to be a factor of 2–3 smaller than that of graphite, thereby making the synthesis of such monolayers by exfoliation of their bulk counterparts probable. The ferromagnetic exchanges, together with in-plane magnetic anisotropy, give rise to the possibility of a finite-temperature long-range ordering of Cu spins, as established through the solution of a generalized model Hamiltonian. Our study should motivate future experiments in this exciting class of compounds.