Neutron diffraction study of the structural and magnetic properties of ε-Fe3N1.098 and ε-Fe2.322Co0.678N0.888

Li Lei; Leilei Zhang; Shangpan Gao; Qiwei Hu; Leiming Fang; Xiping Chen; Yuanhua Xia; Xianlong Wang; Hiroaki Ohfuji; Yohei Kojima; Simon A.T. Redfern; Zhi Zeng; Bo Chen; Duanwei He; Tetsuo Irifune

doi:10.1016/j.jallcom.2018.04.143

Neutron diffraction study of the structural and magnetic properties of ε-Fe₃N_1.098 and ε-Fe_2.322Co_0.678N_0.888

Li Lei, Leilei Zhang, Shangpan Gao, Qiwei Hu, Leiming Fang, Xiping Chen, Yuanhua Xia, Xianlong Wang, Hiroaki Ohfuji, Yohei Kojima, Simon A.T. Redfern, Zhi Zeng, Bo Chen, Duanwei He, Tetsuo Irifune

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

10 Citations (Scopus)

Abstract

Binary ε-Fe₃N_1.098 and ternary ε-Fe_2.322Co_0.678N_0.888 were synthesized as spherical bulk materials using novel high-pressure solid-state metathesis reactions (HPSSM). The structural and magnetic properties of the two nitrides were investigated using neutron powder diffraction (NPD), a vibrating sample magnetometer (VSM), and first-principle calculations. We found that at high pressure and high temperature (HPHT), nitrogen atoms enter the interstitial 2d sites of the nitrogen-rich ε-Fe₃N_1.098 structure, space group P6₃22, which were previously reported to be vacant. The stoichiometry of the nitride (N/Me ratio) and the level of disorder have a significant influence on the site occupancies and local magnetic moments in these iron-based nitrides. The substitution of Fe by Co in ε-Fe_2.322Co_0.678N_0.888 did not reduce the mean magnetic moment (μ_m) per metal atom at the Wyckoff 6 g site. NPD refinements showed that the magnetic moment per Fe atom in ε-Fe₃N_1.098 (at 1.8 (4) μ_B) was slightly higher than that of ε-Fe_2.322Co_0.678N_0.888, where the moment per Fe/Co atom is 1.7(2) μ_B.

Original language	English
Pages (from-to)	99-105
Number of pages	7
Journal	Journal of Alloys and Compounds
Volume	752
DOIs	https://doi.org/10.1016/j.jallcom.2018.04.143
Publication status	Published - 2018 Jul 5
Externally published	Yes

Keywords

Crystal structure
High-pressure
Magnetic property
Neutron diffraction
Nitride materials
Solid state reaction

ASJC Scopus subject areas

Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

Access to Document

10.1016/j.jallcom.2018.04.143

Cite this

Lei, L., Zhang, L., Gao, S., Hu, Q., Fang, L., Chen, X., Xia, Y., Wang, X., Ohfuji, H., Kojima, Y., Redfern, S. A. T., Zeng, Z., Chen, B., He, D., & Irifune, T. (2018). Neutron diffraction study of the structural and magnetic properties of ε-Fe₃N_1.098 and ε-Fe_2.322Co_0.678N_0.888. Journal of Alloys and Compounds, 752, 99-105. https://doi.org/10.1016/j.jallcom.2018.04.143

@article{cad2f0414a884399803df0262885a8f0,

title = "Neutron diffraction study of the structural and magnetic properties of ε-Fe3N1.098 and ε-Fe2.322Co0.678N0.888",

abstract = "Binary ε-Fe3N1.098 and ternary ε-Fe2.322Co0.678N0.888 were synthesized as spherical bulk materials using novel high-pressure solid-state metathesis reactions (HPSSM). The structural and magnetic properties of the two nitrides were investigated using neutron powder diffraction (NPD), a vibrating sample magnetometer (VSM), and first-principle calculations. We found that at high pressure and high temperature (HPHT), nitrogen atoms enter the interstitial 2d sites of the nitrogen-rich ε-Fe3N1.098 structure, space group P6322, which were previously reported to be vacant. The stoichiometry of the nitride (N/Me ratio) and the level of disorder have a significant influence on the site occupancies and local magnetic moments in these iron-based nitrides. The substitution of Fe by Co in ε-Fe2.322Co0.678N0.888 did not reduce the mean magnetic moment (μm) per metal atom at the Wyckoff 6 g site. NPD refinements showed that the magnetic moment per Fe atom in ε-Fe3N1.098 (at 1.8 (4) μB) was slightly higher than that of ε-Fe2.322Co0.678N0.888, where the moment per Fe/Co atom is 1.7(2) μB.",

keywords = "Crystal structure, High-pressure, Magnetic property, Neutron diffraction, Nitride materials, Solid state reaction",

author = "Li Lei and Leilei Zhang and Shangpan Gao and Qiwei Hu and Leiming Fang and Xiping Chen and Yuanhua Xia and Xianlong Wang and Hiroaki Ohfuji and Yohei Kojima and Redfern, {Simon A.T.} and Zhi Zeng and Bo Chen and Duanwei He and Tetsuo Irifune",

note = "Funding Information: This work was supported by Research Foundation of Key Laboratory of Neutron Physics (Grant No. 2015BB03 and 2014AB02 ), Science Foundation for Excellent Youth Scholars of Sichuan University (Grant No. 2015SCU04A04 ), Specialized Research Fund for the Doctoral Program of Higher Education (Grant No. 20130181120116 ), National Natural Science Foundation of China (Grant No. 21301122 and 11427810 ), and Premier Research Institution for Ultrahigh-pressure Sciences ( PRIUS ). S.A.T.R. acknowledges the support of the UK Natural Environment Research Council under grant NE/P012167/1 . We thank Filippo Boi and Volodymyr A. Yartys for proofreading and valuable suggestions. Publisher Copyright: {\textcopyright} 2018 Elsevier B.V.",

year = "2018",

month = jul,

day = "5",

doi = "10.1016/j.jallcom.2018.04.143",

language = "English",

volume = "752",

pages = "99--105",

journal = "Journal of Alloys and Compounds",

issn = "0925-8388",

publisher = "Elsevier BV",

}

TY - JOUR

T1 - Neutron diffraction study of the structural and magnetic properties of ε-Fe3N1.098 and ε-Fe2.322Co0.678N0.888

AU - Lei, Li

AU - Zhang, Leilei

AU - Gao, Shangpan

AU - Hu, Qiwei

AU - Fang, Leiming

AU - Chen, Xiping

AU - Xia, Yuanhua

AU - Wang, Xianlong

AU - Ohfuji, Hiroaki

AU - Kojima, Yohei

AU - Redfern, Simon A.T.

AU - Zeng, Zhi

AU - Chen, Bo

AU - He, Duanwei

AU - Irifune, Tetsuo

N1 - Funding Information: This work was supported by Research Foundation of Key Laboratory of Neutron Physics (Grant No. 2015BB03 and 2014AB02 ), Science Foundation for Excellent Youth Scholars of Sichuan University (Grant No. 2015SCU04A04 ), Specialized Research Fund for the Doctoral Program of Higher Education (Grant No. 20130181120116 ), National Natural Science Foundation of China (Grant No. 21301122 and 11427810 ), and Premier Research Institution for Ultrahigh-pressure Sciences ( PRIUS ). S.A.T.R. acknowledges the support of the UK Natural Environment Research Council under grant NE/P012167/1 . We thank Filippo Boi and Volodymyr A. Yartys for proofreading and valuable suggestions. Publisher Copyright: © 2018 Elsevier B.V.

PY - 2018/7/5

Y1 - 2018/7/5

N2 - Binary ε-Fe3N1.098 and ternary ε-Fe2.322Co0.678N0.888 were synthesized as spherical bulk materials using novel high-pressure solid-state metathesis reactions (HPSSM). The structural and magnetic properties of the two nitrides were investigated using neutron powder diffraction (NPD), a vibrating sample magnetometer (VSM), and first-principle calculations. We found that at high pressure and high temperature (HPHT), nitrogen atoms enter the interstitial 2d sites of the nitrogen-rich ε-Fe3N1.098 structure, space group P6322, which were previously reported to be vacant. The stoichiometry of the nitride (N/Me ratio) and the level of disorder have a significant influence on the site occupancies and local magnetic moments in these iron-based nitrides. The substitution of Fe by Co in ε-Fe2.322Co0.678N0.888 did not reduce the mean magnetic moment (μm) per metal atom at the Wyckoff 6 g site. NPD refinements showed that the magnetic moment per Fe atom in ε-Fe3N1.098 (at 1.8 (4) μB) was slightly higher than that of ε-Fe2.322Co0.678N0.888, where the moment per Fe/Co atom is 1.7(2) μB.

AB - Binary ε-Fe3N1.098 and ternary ε-Fe2.322Co0.678N0.888 were synthesized as spherical bulk materials using novel high-pressure solid-state metathesis reactions (HPSSM). The structural and magnetic properties of the two nitrides were investigated using neutron powder diffraction (NPD), a vibrating sample magnetometer (VSM), and first-principle calculations. We found that at high pressure and high temperature (HPHT), nitrogen atoms enter the interstitial 2d sites of the nitrogen-rich ε-Fe3N1.098 structure, space group P6322, which were previously reported to be vacant. The stoichiometry of the nitride (N/Me ratio) and the level of disorder have a significant influence on the site occupancies and local magnetic moments in these iron-based nitrides. The substitution of Fe by Co in ε-Fe2.322Co0.678N0.888 did not reduce the mean magnetic moment (μm) per metal atom at the Wyckoff 6 g site. NPD refinements showed that the magnetic moment per Fe atom in ε-Fe3N1.098 (at 1.8 (4) μB) was slightly higher than that of ε-Fe2.322Co0.678N0.888, where the moment per Fe/Co atom is 1.7(2) μB.

KW - Crystal structure

KW - High-pressure

KW - Magnetic property

KW - Neutron diffraction

KW - Nitride materials

KW - Solid state reaction

UR - http://www.scopus.com/inward/record.url?scp=85045763084&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85045763084&partnerID=8YFLogxK

U2 - 10.1016/j.jallcom.2018.04.143

DO - 10.1016/j.jallcom.2018.04.143

M3 - Article

AN - SCOPUS:85045763084

SN - 0925-8388

VL - 752

SP - 99

EP - 105

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

ER -