An experimental and computational investigation of structure and magnetism in pyrite Co${}_{1-x}$Fe${}_x$S${}_2$: Chemical bonding and half-metallicity

K. Ramesha, Ram Seshadri, Claude Ederer +2

Bulk samples of the pyrite chalcogenide solid solutions Co${}_{1-x}$Fe${}_x$S${}_2$ 0 <= x <= 0.5, have been prepared and their crystal structures and magnetic properties studied by X-ra…