Mössbauer studies and electronic structure of γ′-Fe4N

Kuhnen, Carlos Alberto; Figueiredo, R.S. de; Drago, Valderes; Silva, E.Z. da

doi:10.1016/0304-8853(92)91062-x

Cited by 93 publications

(46 citation statements)

References 25 publications

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“…1) [5]. Mössbauer experiments confirmed the value of these moments for the individual atoms [9][10][11]. Mössbauer and Kerr experiments showed the magnetization direction to be [001] [12][13][14]135].…”

Section: History and Interestmentioning

confidence: 58%

The magnetization of γ′‐Fe₄N: theory vs. experiment

Blancá

Desimoni

Christensen

et al. 2009

Physica Status Solidi (b)

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By reviewing the experimental and theoretical literature on γ′‐Fe4N, and by a systematic survey of predictions by the LDA, PBE, WC, LDA + U (2×), PBE + U (2×) and B3PW91 exchange‐correlation functionals, the structural, magnetic and hyperfine properties of this material as well as their pressure dependencies are interpreted. The hypothesis is put forward that γ′‐Fe4N as found in Nature is exactly at a steep transition between low‐spin and high‐spin behaviour. PBE + U (U = 0.4 eV) is identified as the most accurate exchange‐correlation functional for this material, although it is needed to fix the magnetization at the experimental value to obtain a satisfying description. Remaining disagreement between theory and experiment is pointed out. A recent experimental claim for a giant magnetic moment in γ′‐Fe4N is discussed, and is not reproduced by our calculations. We expect that the new insight obtained in the present work can lead to a consistent ab initio modeling of other materials in the iron‐nitrogen binary system. In an accompanying didactic section, the physics behind some common exchange‐correlation functionals is outlined. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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Section: History and Interestmentioning

confidence: 58%

The magnetization of γ′‐Fe₄N: theory vs. experiment

Blancá

Desimoni

Christensen

et al. 2009

Physica Status Solidi (b)

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“…The nitride phase Fe 4 N has been the subject of intense experimental [1][2][3] and also theoretical [4,5] studies owing to its potential application as a high-density recording material. It is characterized by a large saturation magnetization of 208 emu g À1 [6] close to a-Fe (218 emu g À1 ), a low coercivity, and a chemical inertness that exceeds that of the metal itself.…”

mentioning

confidence: 99%

Predicting New Ferromagnetic Nitrides from Electronic Structure Theory: IrFe₃N and RhFe₃N

Appen

Dronskowski

2005

Angew Chem Int Ed

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Cutting corners: The perovskite‐like ternary nitrides MFe3N of the iron‐ and platinum‐group metals are theoretically investigated. All eight compounds are predicted as being ferromagnetic, with saturation moments between 7.1 and 9.2 μB per formula unit, and with larger M atoms preferentially occupying the corner position 1a (see picture). Two ternary nitrides, yet to be made, are predicted as lucrative synthetic goals.

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“…In particularly, cobalt nitrides find place in Li 3−x Co x N, which shows a remarkable high reversible capacity and good cycle performance [7,8,9,10]. A lot of theoretical [11,12,13,14,15] and experimental [16,17,18,19,20,21,22,23] reports are available on iron nitride (Fe-N) system. In a number of studies Fe 4 N thin films have been prepared and studied [16,17,18,19,20,21,22,23].…”

Section: Introductionmentioning

confidence: 99%

Structural and magnetic properties of Co-N thin films deposited using magnetron sputtering at 523 K

Pandey

Gupta

et al. 2017

Journal of Alloys and Compounds

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In this work, we studied cobalt nitride (Co-N) thin films deposited using a dc magnetron sputtering method at a substrate temperature (T s ) of 523 K. We find that independent of the reactive gas flow (R N 2 ) used during sputtering, the phases of Co-N formed at this temperature seems to be identical having N at.% ∼5. This is contrary to Co-N phases formed at lower T s . For T s ∼300 K, an evolution of Co-N phases starting from Co(N)→Co 4 N→Co 3 N→CoN can be seen as R N 2 increases to 100%, whereas when the substrate temperature increases to 523 K, the phase formed is a mixture of Co and Co 4 N, independent of the R N 2 used during sputtering. We used x-ray diffraction (XRD) to probe long range ordering, x-ray absorption spectroscopy (XAS) at Co absorption edge for the local structure, Magneto-optical Kerr e ffect (MOKE) and polarized neutron reflectivity (PNR) to measure the magnetization of samples. Quantification of N at.% was done using secondary ion mass spectroscopy (SIMS). Measurements suggest that the magnetic moment of Co-N samples deposited at 523 K is slightly higher than the bulk Co moment and does not get affected with the R N 2 used for reactive sputtering. Our results provide an important insight about the phase formation of Co-N thin films which is discussed in this work.

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Mössbauer studies and electronic structure of γ′-Fe4N

Cited by 93 publications

References 25 publications

The magnetization of γ′‐Fe₄N: theory vs. experiment

The magnetization of γ′‐Fe₄N: theory vs. experiment

Predicting New Ferromagnetic Nitrides from Electronic Structure Theory: IrFe₃N and RhFe₃N

Structural and magnetic properties of Co-N thin films deposited using magnetron sputtering at 523 K

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Mössbauer studies and electronic structure of γ′-Fe4N

Cited by 93 publications

References 25 publications

The magnetization of γ′‐Fe4N: theory vs. experiment

The magnetization of γ′‐Fe4N: theory vs. experiment

Predicting New Ferromagnetic Nitrides from Electronic Structure Theory: IrFe3N and RhFe3N

Structural and magnetic properties of Co-N thin films deposited using magnetron sputtering at 523 K

Contact Info

Product

Resources

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The magnetization of γ′‐Fe₄N: theory vs. experiment

The magnetization of γ′‐Fe₄N: theory vs. experiment

Predicting New Ferromagnetic Nitrides from Electronic Structure Theory: IrFe₃N and RhFe₃N