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Crystal structures, magnetic properties, and DFT calculation of B-site defected 12L-perovskites Ba2La2MW2O12 (M = Mn, Co, Ni, Zn)

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Title: Crystal structures, magnetic properties, and DFT calculation of B-site defected 12L-perovskites Ba2La2MW2O12 (M = Mn, Co, Ni, Zn)
Authors: Doi, Yoshihiro Browse this author →KAKEN DB
Wakeshima, Makoto Browse this author →KAKEN DB
Tezuka, Keitaro Browse this author
Shan, Yue Jin Browse this author
Ohoyama, Kenji Browse this author
Lee, Sanghyun Browse this author
Torii, Shuki Browse this author
Kamiyama, Takashi Browse this author
Hinatsu, Yukio Browse this author →KAKEN DB
Keywords: B-site defected 12L-perovskite
triangular lattice
cation ordering
neutron diffraction
DFT calculation
magnetic interaction
Issue Date: 13-Sep-2017
Publisher: IOP Publishing
Journal Title: Journal of physics : condensed matter
Volume: 29
Issue: 36
Start Page: 365802
Publisher DOI: 10.1088/1361-648X/aa7c9b
PMID: 28661405
Abstract: The synthesis, crystal structures and magnetic properties of Ba2La2MW2O12 (M = Mn, Co, Ni, Zn) were investigated. They crystallize in the 12-layer polytype of the perovskite structure with a regular cation defect in the B-site. The results of neutron diffraction measurements reveal that they adopt a rhombohedral structure with a space group R - 3 and have a cation ordering between Ba and La ions in the A-site. In these compounds, the magnetic M ions form the 2D triangular lattice. From the results of magnetic measurements, the ferromagnetic ordering of M2+ ions for M = Co (T-C = 1.3 K) and Ni (6.2 K) and the paramagnetic behavior (T > 1.8 K) with an antiferromagnetic interaction for M = Mn are observed. From the DFT calculation, their band structures and magnetic interactions are discussed.
Rights: This is an author-created, un-copyedited version of an article published in Journal of Physics: Condensed Matter. IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or any version derived from it. The Version of Record is available online at 10.1088/1361-648X/aa7c9b.
Type: article (author version)
URI: http://hdl.handle.net/2115/71453
Appears in Collections:理学院・理学研究院 (Graduate School of Science / Faculty of Science) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 土井 貴弘

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