Coexistence of localized magnetic moment and opposite-spin itinerant electrons in MnC

Within the lattice constants ranging from 3.5 to 4.28 Angstrom, we predict that manganese carbide (MnC) will possess a coexistent phase of periodic magnetic moments contributed by the semiconducting majority spin states and itinerant electrons in the minority spin channel. We analyze the effects of hybridization between the d states of the Mn atom and the p states of the C atom, the crystal field effect on the d manifold, and the exchange interactions of the majority and the minority spin states as the lattice constant varies. We point out the physical reason for the occurrence of this form of coexistence. A measurement of saturation magnetization is suggested to determine the presence of this phase. Comparison with its equilibrium lattice constant, 4.39 Angstrom, shows that there is a possibility of growing this compound in thin film forms without suffering an excessive strain on substrates such as boron phosphide and boron nitride.