Magnetic structure and electromagnetic properties of LnCrAsO with a ZrCuSiAs-type structure (Ln = La, Ce, Pr, and Nd)

Sang Won Park; Hiroshi Mizoguchi; Katsuaki Kodama; Shin Ichi Shamoto; Toshiya Otomo; Satoru Matsuishi; Toshio Kamiya; Hideo Hosono

doi:10.1021/ic401487q

Magnetic structure and electromagnetic properties of LnCrAsO with a ZrCuSiAs-type structure (Ln = La, Ce, Pr, and Nd)

Sang Won Park, Hiroshi Mizoguchi, Katsuaki Kodama, Shin Ichi Shamoto, Toshiya Otomo, Satoru Matsuishi, Toshio Kamiya, Hideo Hosono

Department of Physics

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

34 Citations (Scopus)

Abstract

We report the synthesis, structure, and electromagnetic properties of Cr-based layered oxyarsenides LnCrAsO (Ln = La, Ce, Pr, and Nd) with a ZrCuSiAs-type structure. All LnCrAsO samples showed metallic electronic conduction. Electron doping in LaCrAsO by Mn-substitution for the Cr sites gave rise to a metal-insulator transition. Analysis of powder neutron diffraction data revealed that LaCrAsO had G-type antiferromagnetic (AFM) ordering, i.e., a checkerboard-type AFM ordering in the CrAs plane and antiparallel spin coupling between the adjacent CrAs planes, at 300 K with a large spin moment of 1.57 μ_B along the c axis. The magnetic susceptibility of LaCrAsO was very small (on the order of 10^-3 emu/mol) and showed a broad hump at ∼550 K. First-principles density functional theory calculations of LaCrAsO explained its crystal structure and metallic nature well, but could not replicate the antiparallel spin coupling between the CrAs layers. The electronic structure of LaCrAsO is discussed with regard to those of related compounds LaFeAsO and LaMnAsO.

Original language	English
Pages (from-to)	13363-13368
Number of pages	6
Journal	Inorganic Chemistry
Volume	52
Issue number	23
DOIs	https://doi.org/10.1021/ic401487q
Publication status	Published - 2013 Dec 2

All Science Journal Classification (ASJC) codes

Physical and Theoretical Chemistry
Inorganic Chemistry

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title = "Magnetic structure and electromagnetic properties of LnCrAsO with a ZrCuSiAs-type structure (Ln = La, Ce, Pr, and Nd)",

abstract = "We report the synthesis, structure, and electromagnetic properties of Cr-based layered oxyarsenides LnCrAsO (Ln = La, Ce, Pr, and Nd) with a ZrCuSiAs-type structure. All LnCrAsO samples showed metallic electronic conduction. Electron doping in LaCrAsO by Mn-substitution for the Cr sites gave rise to a metal-insulator transition. Analysis of powder neutron diffraction data revealed that LaCrAsO had G-type antiferromagnetic (AFM) ordering, i.e., a checkerboard-type AFM ordering in the CrAs plane and antiparallel spin coupling between the adjacent CrAs planes, at 300 K with a large spin moment of 1.57 μB along the c axis. The magnetic susceptibility of LaCrAsO was very small (on the order of 10-3 emu/mol) and showed a broad hump at ∼550 K. First-principles density functional theory calculations of LaCrAsO explained its crystal structure and metallic nature well, but could not replicate the antiparallel spin coupling between the CrAs layers. The electronic structure of LaCrAsO is discussed with regard to those of related compounds LaFeAsO and LaMnAsO.",

author = "Park, {Sang Won} and Hiroshi Mizoguchi and Katsuaki Kodama and Shamoto, {Shin Ichi} and Toshiya Otomo and Satoru Matsuishi and Toshio Kamiya and Hideo Hosono",

year = "2013",

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doi = "10.1021/ic401487q",

language = "English",

volume = "52",

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T1 - Magnetic structure and electromagnetic properties of LnCrAsO with a ZrCuSiAs-type structure (Ln = La, Ce, Pr, and Nd)

AU - Park, Sang Won

AU - Mizoguchi, Hiroshi

AU - Kodama, Katsuaki

AU - Shamoto, Shin Ichi

AU - Otomo, Toshiya

AU - Matsuishi, Satoru

AU - Kamiya, Toshio

AU - Hosono, Hideo

PY - 2013/12/2

Y1 - 2013/12/2

N2 - We report the synthesis, structure, and electromagnetic properties of Cr-based layered oxyarsenides LnCrAsO (Ln = La, Ce, Pr, and Nd) with a ZrCuSiAs-type structure. All LnCrAsO samples showed metallic electronic conduction. Electron doping in LaCrAsO by Mn-substitution for the Cr sites gave rise to a metal-insulator transition. Analysis of powder neutron diffraction data revealed that LaCrAsO had G-type antiferromagnetic (AFM) ordering, i.e., a checkerboard-type AFM ordering in the CrAs plane and antiparallel spin coupling between the adjacent CrAs planes, at 300 K with a large spin moment of 1.57 μB along the c axis. The magnetic susceptibility of LaCrAsO was very small (on the order of 10-3 emu/mol) and showed a broad hump at ∼550 K. First-principles density functional theory calculations of LaCrAsO explained its crystal structure and metallic nature well, but could not replicate the antiparallel spin coupling between the CrAs layers. The electronic structure of LaCrAsO is discussed with regard to those of related compounds LaFeAsO and LaMnAsO.

AB - We report the synthesis, structure, and electromagnetic properties of Cr-based layered oxyarsenides LnCrAsO (Ln = La, Ce, Pr, and Nd) with a ZrCuSiAs-type structure. All LnCrAsO samples showed metallic electronic conduction. Electron doping in LaCrAsO by Mn-substitution for the Cr sites gave rise to a metal-insulator transition. Analysis of powder neutron diffraction data revealed that LaCrAsO had G-type antiferromagnetic (AFM) ordering, i.e., a checkerboard-type AFM ordering in the CrAs plane and antiparallel spin coupling between the adjacent CrAs planes, at 300 K with a large spin moment of 1.57 μB along the c axis. The magnetic susceptibility of LaCrAsO was very small (on the order of 10-3 emu/mol) and showed a broad hump at ∼550 K. First-principles density functional theory calculations of LaCrAsO explained its crystal structure and metallic nature well, but could not replicate the antiparallel spin coupling between the CrAs layers. The electronic structure of LaCrAsO is discussed with regard to those of related compounds LaFeAsO and LaMnAsO.

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Magnetic structure and electromagnetic properties of LnCrAsO with a ZrCuSiAs-type structure (Ln = La, Ce, Pr, and Nd)

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