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The electronic energy structures and magnetic properties of iron-basedcompounds with group VI elements (FeTe, BiFeO$_3$, SrFe$_{12}$O$_{19}$ andSrCoTiFe$_{10}$O$_{19}$) are studied using the density functional theory (DFT)methods. Manifestations of different types of chemical bonds in magnetism ofthese compounds are studied theoretically. Calculations of electronicstructures of these systems were performed using the generalized gradientapproximation (GGA) for description of the exchange and correlation effectswithin DFT. For SrFe$_{12}$O$_{19}$ and SrCoTiFe$_{10}$O$_{19}$ hexaferritesthe GGA+$U$ method was also employed to deal with strongly correlated3$d$-electrons. The calculations have revealed distinctive features ofelectronic structure of the investigated iron-based compounds with stronglycorrelated 3$d$-electrons, which can be responsible for their peculiarstructural and magnetic properties.

Electronic structure and magnetic properties of FeTe, BiFeO$_3$, SrFe$_{12}$O$_{19}$ and SrCoTiFe$_{10}$O$_{19}$ compounds