The Electronic Structure of La ₂ BaCuO ₅ : A Magnetic Insulator

Abstract

The results of density functional calculations of the electronic structure of La2BaCuO5 are presented. The calculations used the standard spin-polarized Local Density Approximation. The system is found to be a strong ferromagnet and has an insulating ground state. The results of the calculations show excellent agreement with the electronic configurations, magnetic ordering, and the localized magnetic moments inferred from experiments.