Exchange interactions and Curie temperatures of the tetrametal nitrides Cr4N, Mn4N, Fe4N, Co4N, and Ni4N

Meinert, Markus

doi:10.1088/0953-8984/28/5/056006

Cited by 46 publications

(44 citation statements)

References 43 publications

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“…To analyze this "dilution" of the magnetism, the Stoner criterion 48,49 may be used because it explains the ferromagnetism of transition metals resulting from, first, a large electronic density-of-states at the Fermi level (ε F ) and, second, the presence of strong exchange interactions. 50 To evaluate the first condition, the two series limits, γ Compound 51 If the structure is divided in four primitive Fe sublattices (one for Fe(1a) and three for Fe(3c)) the 3c intra-sublattice interactions sum up strongly antiferromagnetic while the 3c inter-sublattice interactions are moderately ferromagnetic. If we transfer these findings to the spin glass Sn 0.9 Fe 3.1 N where most of the Fe(1a) are substituted by non-magnetic Sn, the remaining Fe(3c) couple ferro-as well as antiferromagnetically and apparently do not yield an ordered spin alignment.…”

Section: Electronic Structure and Bondingmentioning

confidence: 99%

Spin-glass behavior of Sn0.9Fe3.1N: An experimental and quantum-theoretical study

Scholz

Dronskowski

2016

AIP Advances

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Based on comprehensive experimental and quantum-theoretical investigations, we identify Sn0.9Fe3.1N as a canonical spin glass and the first ternary iron nitride with a frustrated spin ground state. Sn0.9Fe3.1N is the end member of the solid solution SnxFe4−xN (0 < x ≤ 0.9) derived from ferromagnetic γ′-Fe4N. Within the solid solution, the gradual incorporation of tin is accompanied by a drastic weakening of the ferromagnetic interactions. To explore the dilution of the ferromagnetic coupling, the highly tin-substituted Sn0.9Fe3.1N has been magnetically reinvestigated. DC magnetometry reveals diverging susceptibilities for FC and ZFC measurements at low temperatures and an unsaturated hysteretic loop even at high magnetic fields. The temperature dependence of the real component of the AC susceptibility at different frequencies proves the spin-glass transition with the characteristic parameters Tg = 12.83(6) K, τ* = 10−11.8(2) s, zv = 5.6(1) and ΔTm/(Tm ⋅ Δlgω) = 0.015. The time-dependent response of the magnetic spins to the external field has been studied by extracting the distribution function of relaxation times g(τ, T) up to Tg from the complex plane of AC susceptibilities. The weakening of the ferromagnetic coupling by substituting tin into γ′-Fe4N is explained by the Stoner criterion on the basis of electronic structure calculations and a quantum-theoretical bonding analysis.

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Section: Electronic Structure and Bondingmentioning

confidence: 99%

Spin-glass behavior of Sn0.9Fe3.1N: An experimental and quantum-theoretical study

Scholz

Dronskowski

2016

AIP Advances

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“…1. Such insertion of N increases the lattice volume leading to an enhancement in Ms [9,10] and a strong hybridization between N and M atoms results in high SPR [11]. Among M 4 N, Fe 4 N is well studied and predicted to have M s ≈ 2.5 μ B /Fe atom [12], SPR ≈ 60% [11,13] and a gigantic value of tunnel magnetoresistance (TMR) ratio ≈24 000% [14].…”

Section: Introductionmentioning

confidence: 99%

“…With low H c and corrosion resistance, Co 4 N is poised to be a superior candidate in spintronic devices. Recently, in a theoretical study Meinert et al studied exchange interactions and did Monte Carlo simulations to calculated the Curie temperature (T c ) and found it to be 291 K (Cr 4 N), 710 K (Mn 4 N), 668 K (Fe 4 N), 827 K (Co 4 N), and 121 K (Ni 4 N) [10]. As can be seen here among these compounds the T c is highest in Co 4 N at 827 K. Such multiple magnetic functionalities of Co 4 N can harness the research in development of new families of spintronic devices and arise as rivals among promising ferromagnetic materials.…”

Section: Introductionmentioning

confidence: 99%

Structural and magnetic properties of stoichiometric Co4N epitaxial thin films

Pandey

Gupta

et al. 2019

Phys. Rev. B

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In this work, we measured N self-diffusion in the Co-N system and found an unexpected result that N diffuses out almost completely around 500 K, leaving behind fcc Co irrespective of the amount of N used to deposit Co-N. On the other hand, in previous attempts the Co 4 N phase has always been grown at 550 K or above. In view of our finding, it appears that fcc Co could have been mistaken for Co 4 N, probably due to the closeness of their lattice parameters (LP; fcc Co = 3.54 Å, Co 4 N= 3.74 Å). Therefore, Co 4 N -an interesting material for its high spin-polarization ratio and high magnetic moment remained unexplored. By bringing down the growth temperature, we report the growth of stoichiometric Co 4 N epitaxial thin films. Films were grown using a direct current reactive magnetron sputtering process on LaAlO 3 (LAO mismatch 1.4%) and MgO (mismatch 11.3%) substrates and their structural and magnetic properties were studied. Precise magnetic moment (M s ) of Co 4 N samples were measured using polarized neutron reflectivity and compared with bulk magnetization results. We found that the M s of Co 4 N is higher due to a magnetovolume effect. Unlike previous findings, we observed that substrates induce misfit strain and strain inhomogeneity is the cause of modifications in magnetic ensemble such as coercivity, saturation magnetization, and magnetic anisotropy. A consequence of incoherent strain present in our samples is also reflected in the magnetic anisotropy leading to a superposition of strong fourfold and a small fraction of uniaxial magnetic anisotropy. Obtained results are presented and discussed in this work.

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“…6 From first principles calculations, both Ni 4 N and Ni 8 N were predicted to have nonzero magnetization, 20,21,[24][25][26] similar to the neighboring transition-metal nitrides M 4 N (M = Mn, Fe, Co), which have been studied by various authors. [26][27][28][29][30] The nickel nitrides with a higher nitrogen concentration were even less studied than the Ni-rich nitrides. Ni 2 N assumes a simple tetragonal structure with lattice parameters a = 2.80Å and c = 3.66Å and space group P4/mmm.…”

Section: Introductionmentioning

confidence: 99%

Electronic structure and magnetic ordering of NiN and Ni ₂ N from first principles

2018

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The results of first-principles electronic structure calculations for the nitrogen-rich nickel nitrides NiN and Ni2N are presented. The calculations are based on density functional theory and used the generalized gradient approximation (GGA) as well as the GGA+U approach. The latter turned out to be crucial for a correct description of the crystal phase stability and magnetic instabilities of both compounds. While for NiN GGA calculations predict a non-magnetic ground state with the zincblende structure, GGA+U calculations result in a half-metallic ferromagnet with the rocksalt structure in line with indications from the neighboring transition-metal nitrides making NiN a possible candidate for spin-filter devices. For Ni2N GGA calculations likewise lead to a non-magnetic behavior, which is contrasted with a ferrimagnetic ordering obtained from the GGA+U approach. This ground state results from complex three-dimensional exchange interaction via σ-type and πtype overlap of the Ni 3d orbitals with the N 2p orbitals and may explain the reported sensitivity of the magnetic ordering to details of the crystal structure. For both nitrides, experimental data are called for to confirm our predictions.

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Exchange interactions and Curie temperatures of the tetrametal nitrides Cr₄N, Mn₄N, Fe₄N, Co₄N, and Ni₄N

Abstract: Abstract. The exchange interactions of Cr 4 N, Mn 4

Cited by 46 publications

References 43 publications

Spin-glass behavior of Sn0.9Fe3.1N: An experimental and quantum-theoretical study

Spin-glass behavior of Sn0.9Fe3.1N: An experimental and quantum-theoretical study

Structural and magnetic properties of stoichiometric Co4N epitaxial thin films

Electronic structure and magnetic ordering of NiN and Ni ₂ N from first principles

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Exchange interactions and Curie temperatures of the tetrametal nitrides Cr4N, Mn4N, Fe4N, Co4N, and Ni4N

Abstract: Abstract. The exchange interactions of Cr 4 N, Mn 4

Cited by 46 publications

References 43 publications

Spin-glass behavior of Sn0.9Fe3.1N: An experimental and quantum-theoretical study

Spin-glass behavior of Sn0.9Fe3.1N: An experimental and quantum-theoretical study

Structural and magnetic properties of stoichiometric Co4N epitaxial thin films

Electronic structure and magnetic ordering of NiN and Ni 2 N from first principles

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Exchange interactions and Curie temperatures of the tetrametal nitrides Cr₄N, Mn₄N, Fe₄N, Co₄N, and Ni₄N

Electronic structure and magnetic ordering of NiN and Ni ₂ N from first principles