Calculation of the critical pressure and electronic structure of Fe–Sn nitrides

Santos, Antônio Vanderlei dos; Krause, João Carlos

doi:10.1016/j.jmmm.2004.06.004

Cited by 10 publications

(4 citation statements)

References 22 publications

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“…al provided Mößbauer data for Sn x Fe 4 –x N , and compared their findings to preliminary Mößbauer results by Andriamandroso et al, who found a preferential substitution on the 1 a lattice site . We also note that there have been theoretical studies targeted at the properties of SnFe 3 N assuming a ferromagnetic ground state, − but up to now, no comprehensive experimental and theoretical investigation of Sn x Fe 4 –x N has been communicated.…”

Section: Introductionmentioning

confidence: 73%

Improved Ammonolytic Synthesis, Structure Determination, Electronic Structure, and Magnetic Properties of the Solid Solution Sn_xFe_4–xN (0 ≤ x ≤ 0.9)

Scholz

Dronskowski

2015

Inorg. Chem.

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We report a synthetic and theoretical study of the solid solution Sn(x)Fe(4-x)N (0 ≤ x ≤ 0.9). A previously published ammonolytic synthesis was successfully modified to achieve the metastable nitrides in phase-pure quality out of many competing phases. As TG-DSC measurements show, the thermal stability of the nitrides increases with increasing tin content. The Sn(x)Fe(4-x)N series of compounds adopts an antiperovskite-like structure in space group Pm3̅m. Various experimental and theoretical methods provide evidence that the iron substitution by tin exclusively takes place at Wyckoff position 1a and leads to a Vegard-type behavior of the lattice parameter over the compositional range, with an expection for a small internal miscibility gap around Sn(0.33)Fe(3.67)N of unknown cause. For highly tin-substituted iron nitrides the composition was clarified by prompt gamma-ray activation analysis (PGAA) and determined as Sn(0.78(3))Fe(3.22(4))N(0.95(3)) evidencing a fully occupied nitrogen position. Magnetic measurements reveal a linear weakening of ferromagnetic interactions with increasing tin concentration.

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Section: Introductionmentioning

confidence: 73%

Improved Ammonolytic Synthesis, Structure Determination, Electronic Structure, and Magnetic Properties of the Solid Solution Sn_xFe_4–xN (0 ≤ x ≤ 0.9)

Scholz

Dronskowski

2015

Inorg. Chem.

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“…Also, daltonide phase MFe 3 N were obtained for M = Rh, , Pd, Pt, In, , and Au . Eventually, many of the aforementioned nitrides plus a couple of hypothetical nitrides, yet to be synthesized, were investigated by theorists in order to characterize their structural, magnetic, and mechanical properties. ,− …”

Section: Introductionmentioning

confidence: 99%

“…14 Eventually, many of the aforementioned nitrides plus a couple of hypothetical nitrides, yet to be synthesized, were investigated by theorists in order to characterize their structural, magnetic, and mechanical properties. 14,[25][26][27][28][29][30][31][32][33][34][35][36][37][38][39][40][41][42][43] The substitutional preference of the M atom to go on Wyckoff position 1a and/or 3c depends on the relative affinities of Fe or M to the nitrogen atom and, even more important, on the relative sizes of the metallic radii. 44 Only if the metallic radius of the substituting M atom is larger than that of the Fe atom is position 1a clearly preferred, simply because the coordination sphere of the 1a-centered cuboctahedron (see Figure 1) is much larger than the one of the 3c position.…”

Section: Introductionmentioning

confidence: 99%

The Ternary Nitrides GaFe₃N and AlFe₃N: Improved Synthesis and Magnetic Properties

2009

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The recently published two-step ammonolysis was adapted to the first synthesis of GaFe 3 N as a pure phase and AlFe 3 N with a very high phase purity. Similar to archetypal γ 0 -Fe 4 N (a = 3.7900(6) A ˚), the ternary nitride GaFe 3 N adopts a perovskite-like structure in space group Pm3m with a slightly enlarged lattice parameter of a = 3.7974(1) A ˚. The magnetic characterization clearly evidences that GaFe 3 N is an antiferromagnet. The systematic exchange of Ga by Fe in going from GaFe 3 N to γ 0 -Fe 4 N results in a change from antiferromagnetic to ferromagnetic behavior. In contrast, the homologous ternary nitride AlFe 3 N shows a statistical Al/Fe substitution which results in space group Fm3m. AlFe 3 N can be classified as a soft ferromagnetic nitride.

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“…Previous studies show that they exhibit interesting physical properties while having a relatively simple antiperovskite structure. For instance, the P4/mmm crystal structure of MnFe 3 N with mechanical properties, 15,16 a frustrated ferromagnetic state in tetragonal GeFe 3 N, 17 thermal expansion in PdFe 3 N, 18 oscillatory behavior in NiFe 3 N, 8 the critical pressure of SnFe 3 N nitrides, 19 and elastic properties of PtFe 3 N reported in theory 20 …”

Section: Introductionmentioning

confidence: 99%

Ternary nitride GaFe₃N: Study of the structural and glassy magnetic properties at low temperatures

Wang,

Yan

et al. 2024

J Am Ceram Soc.

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In ternary nitrides, the Ga0.9Fe3.1N sample has ultimately been prepared through solid‐gas preparation for the gallium‐richest phase GaFe3N. The substitution of gallium atoms for iron atoms weakens the saturation magnetization of ferromagnetic γʹ‐Fe4N and induces the transmission from ferromagnetism to antiferromagnetism. A new magnetic behavior, defined as the spin glassy magnetic state, has been observed in the temperature‐dependent magnetic performance measurement process for Ga0.9Fe3.1N. The magnetic competition between ferromagnetic and antiferromagnetic Fe–Fe bonds will lead to the spin frustration of the magnetic system. And even the positional disorders caused by substitution, will all be responsible for the spin glassy behavior in Ga0.9Fe3.1N.

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Calculation of the critical pressure and electronic structure of Fe–Sn nitrides

Cited by 10 publications

References 22 publications

Improved Ammonolytic Synthesis, Structure Determination, Electronic Structure, and Magnetic Properties of the Solid Solution Sn_xFe_4–xN (0 ≤ x ≤ 0.9)

Improved Ammonolytic Synthesis, Structure Determination, Electronic Structure, and Magnetic Properties of the Solid Solution Sn_xFe_4–xN (0 ≤ x ≤ 0.9)

The Ternary Nitrides GaFe₃N and AlFe₃N: Improved Synthesis and Magnetic Properties

Ternary nitride GaFe₃N: Study of the structural and glassy magnetic properties at low temperatures

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Calculation of the critical pressure and electronic structure of Fe–Sn nitrides

Cited by 10 publications

References 22 publications

Improved Ammonolytic Synthesis, Structure Determination, Electronic Structure, and Magnetic Properties of the Solid Solution SnxFe4–xN (0 ≤ x ≤ 0.9)

Improved Ammonolytic Synthesis, Structure Determination, Electronic Structure, and Magnetic Properties of the Solid Solution SnxFe4–xN (0 ≤ x ≤ 0.9)

The Ternary Nitrides GaFe3N and AlFe3N: Improved Synthesis and Magnetic Properties

Ternary nitride GaFe3N: Study of the structural and glassy magnetic properties at low temperatures

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Improved Ammonolytic Synthesis, Structure Determination, Electronic Structure, and Magnetic Properties of the Solid Solution Sn_xFe_4–xN (0 ≤ x ≤ 0.9)

Improved Ammonolytic Synthesis, Structure Determination, Electronic Structure, and Magnetic Properties of the Solid Solution Sn_xFe_4–xN (0 ≤ x ≤ 0.9)

The Ternary Nitrides GaFe₃N and AlFe₃N: Improved Synthesis and Magnetic Properties

Ternary nitride GaFe₃N: Study of the structural and glassy magnetic properties at low temperatures