Abstract

Using a microscopic model, the magnetic and electric properties of pure and ion‐doped (on the Lu or Fe sites) hexagonal LuFeO3 (LuFO) are studied and compared with the properties of ion‐doped LaFeO3 (LaFO). The magnetization increases by Sr and Sc doping which is caused by the strain and the changes of the exchange interaction constants at the doped states. It is observed that by Sm doping of LuFO the polarization decreases, whereas by Sm doping of LaFO, the polarization increases with increasing Sm concentration. By Ir or Co ion doping on the Fe site, the magnetization and the phonon energy increase whereas the bandgap energy decreases. By doping on the Fe sites with the same ion, for example, Sc, there are no differences between LuFO and LaFO. A good agreement with the experimental data is observed. The doping effects can be used for different applications.

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