Bandgap Energy of Ion‐Doped LaMnO₃ Nanoparticles

Abstract

Based on the s‐d model combined with Green's function technique, the magnetization and the bandgap energy of ion‐doped nanoparticles at La sites are calculated. Due to the change of the valency of Mn ions, from to , as well as the difference between the ionic radii of the doping and host ions, the exchange interaction is modified which allows a tuning of the magnetization and the bandgap energy. For nanoparticles, the bandgap is decreased by Ag and Ba doping, whereas it is increased by K and Sr doping. Macroscopic quantities such as the magnetization and the bandgap energy are directly related to microscopic parameters of the model. The simulations are qualitatively in good agreement with the experimental data.