Neutron Diffraction and Mössbauer Spectral Study of Nd₂Fe₁₆Ti and Its Nitride

Fernande Grandjean; Peter C. Ezekwenna; Gary J. Long; Oran Allan Pringle; P. H. L'Héritier; Mohamed Ellouze; H. P. Luo; William B. Yelon

doi:10.1063/1.368317

Neutron Diffraction and Mössbauer Spectral Study of Nd₂Fe₁₆Ti and Its Nitride

Fernande Grandjean
, Peter C. Ezekwenna
, Gary J. Long
, Oran Allan Pringle
, P. H. L'Héritier
, Mohamed Ellouze
, H. P. Luo
, William B. Yelon

Missouri University of Science and Technology

Research output: Contribution to journal › Article › peer-review

Abstract

The 295 K powder neutron diffraction patterns and the temperature dependence of the Mössbauer spectra of Nd ₂ Fe _17-x Ti _x and Nd ₂ Fe _17-x Ti _x N _x have been measured. A Rietveld refinement of the neutron diffraction patterns yields the Nd ₂ Fe _16.32 Ti _0.68 and Nd ₂ Fe _16.32 Ti _0.68 N _2.7 stoichiometries for the two compounds and indicates that titanium occupies only the 6c crystallographic site and nitrogen only the 9e site in the rhombohedral Th ₂ Zn ₁₇ structure. The insertion of interstitial nitrogen into Nd ₂ Fe _16.32 Ti _0.68 produces a 6.8% increase in the unit cell volume. The relative areas of the Mössbauer spectral components indicate that iron-iron, iron-titanium, and titanium-titanium 6c-6c dumbbell pairs exist in both of these materials. The magnetic hyperfine fields observed for the iron on the 6c site in the iron-titanium dumbbell pair in both compounds is substantially reduced from that found in Nd ₂ Fe ₁₇ and Nd ₂ Fe ₁₇ N _2.6 because of the titanium dumbbell near neighbor. For all the remaining hyperfine parameters there is a good correlation with those observed in Nd ₂ Fe ₁₇ and Nd ₂ Fe ₁₇ N _2.6 . A linear increase is observed for the weighted average isomer shift with increasing unit cell volume for Nd ₂ Fe ₁₇ , Nd ₂ Fe ₁₇ N _2.6 , Nd ₂ Fe _16.32 Ti _0.68 , and Nd ₂ Fe _16.32 Ti _0.68 N _2.7 , because of the decreasing s-electron density at the iron-57 nucleus.

Original language	American English
Pages (from-to)	1893-1900
Number of pages	8
Journal	Journal of Applied Physics
Volume	84
Issue number	4
DOIs	https://doi.org/10.1063/1.368317
State	Published - Aug 1 1998

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Chemistry
Physics

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Neutron Diffraction and M ssbauer Spectral Study of Nd Fe Ti andFinal published version, 231 KBLicense: CC BY

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@article{fe97b5d26960462cb7e4d1ea8188476a,

title = "Neutron Diffraction and M{\"o}ssbauer Spectral Study of Nd₂Fe₁₆Ti and Its Nitride",

abstract = " The 295 K powder neutron diffraction patterns and the temperature dependence of the M{\"o}ssbauer spectra of Nd 2 Fe 17-x Ti x and Nd 2 Fe 17-x Ti x N x have been measured. A Rietveld refinement of the neutron diffraction patterns yields the Nd 2 Fe 16.32 Ti 0.68 and Nd 2 Fe 16.32 Ti 0.68 N 2.7 stoichiometries for the two compounds and indicates that titanium occupies only the 6c crystallographic site and nitrogen only the 9e site in the rhombohedral Th 2 Zn 17 structure. The insertion of interstitial nitrogen into Nd 2 Fe 16.32 Ti 0.68 produces a 6.8\% increase in the unit cell volume. The relative areas of the M{\"o}ssbauer spectral components indicate that iron-iron, iron-titanium, and titanium-titanium 6c-6c dumbbell pairs exist in both of these materials. The magnetic hyperfine fields observed for the iron on the 6c site in the iron-titanium dumbbell pair in both compounds is substantially reduced from that found in Nd 2 Fe 17 and Nd 2 Fe 17 N 2.6 because of the titanium dumbbell near neighbor. For all the remaining hyperfine parameters there is a good correlation with those observed in Nd 2 Fe 17 and Nd 2 Fe 17 N 2.6 . A linear increase is observed for the weighted average isomer shift with increasing unit cell volume for Nd 2 Fe 17 , Nd 2 Fe 17 N 2.6 , Nd 2 Fe 16.32 Ti 0.68 , and Nd 2 Fe 16.32 Ti 0.68 N 2.7 , because of the decreasing s-electron density at the iron-57 nucleus.",

author = "Fernande Grandjean and Ezekwenna, \{Peter C.\} and Long, \{Gary J.\} and Pringle, \{Oran Allan\} and L'H{\'e}ritier, \{P. H.\} and Mohamed Ellouze and Luo, \{H. P.\} and Yelon, \{William B.\}",

year = "1998",

month = aug,

day = "1",

doi = "10.1063/1.368317",

language = "American English",

volume = "84",

pages = "1893--1900",

journal = "Journal of Applied Physics",

issn = "1089-7550",

number = "4",

}

TY - JOUR

T1 - Neutron Diffraction and Mössbauer Spectral Study of Nd₂Fe₁₆Ti and Its Nitride

AU - Grandjean, Fernande

AU - Ezekwenna, Peter C.

AU - Long, Gary J.

AU - Pringle, Oran Allan

AU - L'Héritier, P. H.

AU - Ellouze, Mohamed

AU - Luo, H. P.

AU - Yelon, William B.

PY - 1998/8/1

Y1 - 1998/8/1

N2 - The 295 K powder neutron diffraction patterns and the temperature dependence of the Mössbauer spectra of Nd 2 Fe 17-x Ti x and Nd 2 Fe 17-x Ti x N x have been measured. A Rietveld refinement of the neutron diffraction patterns yields the Nd 2 Fe 16.32 Ti 0.68 and Nd 2 Fe 16.32 Ti 0.68 N 2.7 stoichiometries for the two compounds and indicates that titanium occupies only the 6c crystallographic site and nitrogen only the 9e site in the rhombohedral Th 2 Zn 17 structure. The insertion of interstitial nitrogen into Nd 2 Fe 16.32 Ti 0.68 produces a 6.8% increase in the unit cell volume. The relative areas of the Mössbauer spectral components indicate that iron-iron, iron-titanium, and titanium-titanium 6c-6c dumbbell pairs exist in both of these materials. The magnetic hyperfine fields observed for the iron on the 6c site in the iron-titanium dumbbell pair in both compounds is substantially reduced from that found in Nd 2 Fe 17 and Nd 2 Fe 17 N 2.6 because of the titanium dumbbell near neighbor. For all the remaining hyperfine parameters there is a good correlation with those observed in Nd 2 Fe 17 and Nd 2 Fe 17 N 2.6 . A linear increase is observed for the weighted average isomer shift with increasing unit cell volume for Nd 2 Fe 17 , Nd 2 Fe 17 N 2.6 , Nd 2 Fe 16.32 Ti 0.68 , and Nd 2 Fe 16.32 Ti 0.68 N 2.7 , because of the decreasing s-electron density at the iron-57 nucleus.

AB - The 295 K powder neutron diffraction patterns and the temperature dependence of the Mössbauer spectra of Nd 2 Fe 17-x Ti x and Nd 2 Fe 17-x Ti x N x have been measured. A Rietveld refinement of the neutron diffraction patterns yields the Nd 2 Fe 16.32 Ti 0.68 and Nd 2 Fe 16.32 Ti 0.68 N 2.7 stoichiometries for the two compounds and indicates that titanium occupies only the 6c crystallographic site and nitrogen only the 9e site in the rhombohedral Th 2 Zn 17 structure. The insertion of interstitial nitrogen into Nd 2 Fe 16.32 Ti 0.68 produces a 6.8% increase in the unit cell volume. The relative areas of the Mössbauer spectral components indicate that iron-iron, iron-titanium, and titanium-titanium 6c-6c dumbbell pairs exist in both of these materials. The magnetic hyperfine fields observed for the iron on the 6c site in the iron-titanium dumbbell pair in both compounds is substantially reduced from that found in Nd 2 Fe 17 and Nd 2 Fe 17 N 2.6 because of the titanium dumbbell near neighbor. For all the remaining hyperfine parameters there is a good correlation with those observed in Nd 2 Fe 17 and Nd 2 Fe 17 N 2.6 . A linear increase is observed for the weighted average isomer shift with increasing unit cell volume for Nd 2 Fe 17 , Nd 2 Fe 17 N 2.6 , Nd 2 Fe 16.32 Ti 0.68 , and Nd 2 Fe 16.32 Ti 0.68 N 2.7 , because of the decreasing s-electron density at the iron-57 nucleus.

UR - https://scholarsmine.mst.edu/chem_facwork/778

U2 - 10.1063/1.368317

DO - 10.1063/1.368317

M3 - Article

SN - 1089-7550

VL - 84

SP - 1893

EP - 1900

JO - Journal of Applied Physics

JF - Journal of Applied Physics

IS - 4

ER -

Neutron Diffraction and Mössbauer Spectral Study of Nd₂Fe₁₆Ti and Its Nitride

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