Coexistence of low and high spin states in La18Co28Pb3

The electronic structure and magnetic properties of a newly predicted stable ternary compound ${\mathrm{La}}_{18}{\mathrm{Co}}_{28}{\mathrm{Pb}}_{3}$ are studied using electronic structure analysis. The ground state of this compound is ferromagnetic, with three positions of nonequivalent magnetic Co atoms. A strong dependence of magnetic properties on volume shows that this system is situated near the point of magnetic instability. The coexistence of high- and low-spin ferromagnetic states as a function of volume near equilibrium was discovered. A corresponding spin tunneling splitting was estimated. The stability of the theoretically predicted magnetic ground state was tested by varying the Hubbard parameter. The thermal spin fluctuations were added to estimate the paramagnetic moment and a Curie temperature. The necessity of experimental verification of the obtained results is emphasized.