SPIN-POLARIZED CALCULATION OF THE ELECTRO NIC-STRUCTURE FOR K-PHASE CLUSTERS IN THE FE-AL-C SYSTEM

The spin-polarized calculation of electronic structure of two clusters of the Fe-Al-C carbide phase (K-phase) is carried out using the multi ple-scattering method (X(alpha)-SW). Total and partial densities of el ectron states for spins up and down is obtained, the electron density maps for (110) and (111) planes is plotted. The chemical bond strength ening between Fe and Al atoms discovered is a result of aluminium conc entration increase. The conclusion that according to the Stoner theory the K-phase tends to transfer from the paramagnetic to ferromagnetic state with the aluminium concentration increase is made.