engleski

Theoretical study of magnetism in RM12B6 compounds (R=Y, La or Ce, M= Fe, Co)

Electronic structure study for RM12B6 intermetallics(R=Y, La or Ce ; M=Fe, Co)was performed. Fixed spin moment calculations for different volumes of unit cell were used to find low and high moment states in LaFe12B6. Obtained results are in agreement with previously obtained experimental and theoretical results. Total magnetic moments obtained for YCo12B6 and LaCo12B6 are in fair agreement with experimental values. In CeCo12B6 discrepancy between theory and experiment seems to be more pronounced. It seems that the calculated Co magnetic moments could be overestimated in the studied RCo12B6 compounds. Present calculations indicate that Fe(Co)atoms prefer 18(h)(18(g))atomic positions what is in agreement with experiment.

electronic structure ; itinerant magnetism ; phase transitions

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