2018
DOI: 10.1016/j.commatsci.2017.10.020
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Electronic structure, vibronic properties and enhanced magnetic anisotropy induced by tetragonal symmetry in ternary iron nitrides: A first-principles study

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Cited by 17 publications
(4 citation statements)
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“…Previous reports of ferromagnet have confirmed that the tetragonal crystal field can improve magnetic anisotropy. 60,67,68 Therefore, both the enhancement of M r /M s in experiments (Figure 3j,k) and the PMA in calculations can be attributed to the tetragonal crystal field, which is resulted from the distortion of Fe 6 N octahedron at different bending or stretching strains. Additionally, no PMA appears in experiments, which may be associated with the misorientation effect.…”
Section: ■ Results and Discussionmentioning
confidence: 88%
“…Previous reports of ferromagnet have confirmed that the tetragonal crystal field can improve magnetic anisotropy. 60,67,68 Therefore, both the enhancement of M r /M s in experiments (Figure 3j,k) and the PMA in calculations can be attributed to the tetragonal crystal field, which is resulted from the distortion of Fe 6 N octahedron at different bending or stretching strains. Additionally, no PMA appears in experiments, which may be associated with the misorientation effect.…”
Section: ■ Results and Discussionmentioning
confidence: 88%
“…24−26 Fe 4 N is a promising ferromagnetic material, due to its high magnetization, Curie temperature, and spin polarization, which exhibits an inverse tunneling magnetoresistance, 27−29 but cubic symmetry makes it have a small magnetocrystalline anisotropy. It is predicted that the substitution of Co in the Fe 4 N lattice induces a large PMA of tetragonal CoFe 3 N. 30 Therefore, in this work, we will report the modulation of organic molecules on the magnetic anisotropy of CoFe 3 N. Atodiresei et al pointed out that there is a direct connection between electronegativity of organic molecule and magnetic properties at the organic/ferromagnetic interface. 18 Wang et al found that reduced symmetry in the thiophene molecule leads to a nonuniform spatial distribution of spin polarization.…”
Section: ■ Introductionmentioning
confidence: 77%
“…[23][24][25][26] In practical applications, compared with monometallic nitrides, the introduction of another transition metal element such as Co, Mn, or Ni to replace the Fe atoms cannot only optimize the magnetic properties, reduce magnetostriction and enhance the thermal stability of iron nitride materials, but also improves its performance in the field of electrocatalysis. [27][28][29][30][31][32][33][34]41,42 Some bimetallic nitrides have been investigated recently. For example, Guo et al reported metallic state two-dimensional holey-structured Co 3 FeN nanosheets as stable and bifunctional electrocatalysts for zinc-air batteries.…”
Section: Introductionmentioning
confidence: 99%