Influence of Cr doping on the magnetic structure of the FeAs-strips compound CaFe4As3: A single-crystal neutron diffraction study

P. Manuel; L. C. Chapon; G. Trimarchi; I. S. Todorov; D. Y. Chung; B. Ouladdiaf; M. J. Gutmann; A. J. Freeman; M. G. Kanatzidis

doi:10.1103/PhysRevB.88.104414

Influence of Cr doping on the magnetic structure of the FeAs-strips compound CaFe₄As₃: A single-crystal neutron diffraction study

P. Manuel^*, L. C. Chapon, G. Trimarchi, I. S. Todorov, D. Y. Chung, B. Ouladdiaf, M. J. Gutmann, A. J. Freeman, M. G. Kanatzidis

^*Corresponding author for this work

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

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Abstract

We have studied the magnetic structure of a Cr-doped iron-arsenide compound CaFe₄As₃ by means of single crystal neutron diffraction. The neutron data reveal that below 90 K, an antiferromagnetic structure with propagation vector k=0 is adopted. Refinement of the magnetic structure using one of the modes allowed by symmetry analysis indicates that two of the four Fe sites, including the one where the selective substitution Fe/Cr happens, bear reduced magnetic moments. Density functional theory calculations confirm the stability of such a magnetic arrangement.

Original language	English (US)
Article number	104414
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	88
Issue number	10
DOIs	https://doi.org/10.1103/PhysRevB.88.104414
State	Published - Sep 17 2013

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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Manuel, P., Chapon, L. C., Trimarchi, G., Todorov, I. S., Chung, D. Y., Ouladdiaf, B., Gutmann, M. J., Freeman, A. J., & Kanatzidis, M. G. (2013). Influence of Cr doping on the magnetic structure of the FeAs-strips compound CaFe₄As₃: A single-crystal neutron diffraction study. Physical Review B - Condensed Matter and Materials Physics, 88(10), [104414]. https://doi.org/10.1103/PhysRevB.88.104414

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title = "Influence of Cr doping on the magnetic structure of the FeAs-strips compound CaFe4As3: A single-crystal neutron diffraction study",

abstract = "We have studied the magnetic structure of a Cr-doped iron-arsenide compound CaFe4As3 by means of single crystal neutron diffraction. The neutron data reveal that below 90 K, an antiferromagnetic structure with propagation vector k=0 is adopted. Refinement of the magnetic structure using one of the modes allowed by symmetry analysis indicates that two of the four Fe sites, including the one where the selective substitution Fe/Cr happens, bear reduced magnetic moments. Density functional theory calculations confirm the stability of such a magnetic arrangement.",

author = "P. Manuel and Chapon, {L. C.} and G. Trimarchi and Todorov, {I. S.} and Chung, {D. Y.} and B. Ouladdiaf and Gutmann, {M. J.} and Freeman, {A. J.} and Kanatzidis, {M. G.}",

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Manuel, P, Chapon, LC, Trimarchi, G, Todorov, IS, Chung, DY, Ouladdiaf, B, Gutmann, MJ, Freeman, AJ & Kanatzidis, MG 2013, 'Influence of Cr doping on the magnetic structure of the FeAs-strips compound CaFe₄As₃: A single-crystal neutron diffraction study', Physical Review B - Condensed Matter and Materials Physics, vol. 88, no. 10, 104414. https://doi.org/10.1103/PhysRevB.88.104414

TY - JOUR

T1 - Influence of Cr doping on the magnetic structure of the FeAs-strips compound CaFe4As3

T2 - A single-crystal neutron diffraction study

AU - Manuel, P.

AU - Chapon, L. C.

AU - Trimarchi, G.

AU - Todorov, I. S.

AU - Chung, D. Y.

AU - Ouladdiaf, B.

AU - Gutmann, M. J.

AU - Freeman, A. J.

AU - Kanatzidis, M. G.

PY - 2013/9/17

Y1 - 2013/9/17

N2 - We have studied the magnetic structure of a Cr-doped iron-arsenide compound CaFe4As3 by means of single crystal neutron diffraction. The neutron data reveal that below 90 K, an antiferromagnetic structure with propagation vector k=0 is adopted. Refinement of the magnetic structure using one of the modes allowed by symmetry analysis indicates that two of the four Fe sites, including the one where the selective substitution Fe/Cr happens, bear reduced magnetic moments. Density functional theory calculations confirm the stability of such a magnetic arrangement.

AB - We have studied the magnetic structure of a Cr-doped iron-arsenide compound CaFe4As3 by means of single crystal neutron diffraction. The neutron data reveal that below 90 K, an antiferromagnetic structure with propagation vector k=0 is adopted. Refinement of the magnetic structure using one of the modes allowed by symmetry analysis indicates that two of the four Fe sites, including the one where the selective substitution Fe/Cr happens, bear reduced magnetic moments. Density functional theory calculations confirm the stability of such a magnetic arrangement.

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Influence of Cr doping on the magnetic structure of the FeAs-strips compound CaFe₄As₃: A single-crystal neutron diffraction study

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