Abstract
The magnetic and electronic properties of Fe77X5Si4B10P4 (X = V, Cr, Mn, Fe, Co, and Ni) metallic glasses were investigated based on first-principle calculations. While the ability of losing electrons is increasingly weaker, that of acquiring charges is stronger with increasing the number of valence electrons from V to Ni atoms. For the addition of V, Cr, and Mn nonmagnetic atoms, while they all behave antiferromagnetic character, the magnetic moments of nearest neighboring (NN) Fe atoms around them are weaker compared to that of Fe82Si4B10P4, resulting from the strong hybridization between 3d states of impurity and Fe. For Co and Ni magnetic atoms, while the magnetic moments of NN Fe atoms are increasingly stronger than that in Fe82Si4B10P4, the local magnetic moments of additive atoms reduce. These result in that the addition of X atoms weakens the saturation magnetic flux density of Fe82Si4B10P4. Moreover, if Co with a minor proportion is incorporated, it will enhance the total magnetization compared to Fe82Si4B10P4 metallic glass, which is certified by experimental results.
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