Electronic, magnetic, vibrational, and X-ray spectroscopy of inverse full-Heusler FeIrSi alloy.

We report the electronic, magnetic, structural, vibrational, and X-ray absorption spectroscopy of the inverse full-Heusler Fe2IrSi alloy. We employed state-of-the-art first-principles computational techniques. Our ab initio calculations revealed a ferromagnetic half-metallicity with a magnetic moment of ∼5.