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[19p-P06-26]Theoretical study of magnetic properties of (Mn, Fe, Ni) nitrides by first-principles calculations

〇Takashi Nakamura1, Rie Umetsu2, Manabu Ishizaki3, Masato Kurihara3 (1.AIST, 2.Tohoku Univ., 3.Yamagata Univ.)
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Keywords:

magnetism,nitride,manganese

We have previously succeeded in introducing manganese into iron nickel nitride by a nitridation method using a porous coordination polymer as a precursor. In our report, we reported that the saturation magnetization was highest when manganese was added at 5-10% of all transition metal elements.
In the presentation, we performed structural analysis using XRD etc., but the cause of the improvement in magnetic permeability was unclear.
In this presentation, we will present our investigation into the cause of the improvement in saturation magnetization from an approach based on first-principles calculations.

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