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  Synthesis, Structure, and Properties of the Layered Oxyselenide Ba2CuO2Cu2Se2

Li, W., Fu, Z., Wang, X., Zhang, J., Liu, M., Zhao, J., et al. (2018). Synthesis, Structure, and Properties of the Layered Oxyselenide Ba2CuO2Cu2Se2. Inorganic Chemistry, 57(9), 5108-5113. doi:10.1021/acs.inorgchem.8b00171.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0001-5BE2-A Version Permalink: http://hdl.handle.net/21.11116/0000-0001-5BE5-7
Genre: Journal Article

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 Creators:
Li, Wenmin1, Author
Fu, Zhaoming1, Author
Wang, Xiancheng1, Author
Zhang, Jun1, Author
Liu, Min1, Author
Zhao, Jianfa1, Author
Jin, Meiling1, Author
Zhao, Guoqiang1, Author
Dai, Guangyang1, Author
Deng, Zheng1, Author
Zhang, Sijia1, Author
Feng, Shaomin1, Author
Hu, Zhiwei2, Author              
Huang, Qingzhen1, Author
Lin, Hongji1, Author
Chen, Chien-Te1, Author
Yang, Yifeng1, Author
Jin, Changqing1, Author
Affiliations:
1External Organizations, ou_persistent22              
2Zhiwei Hu, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863461              

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 Abstract: A new layered oxyselenide, Ba2CuO2Cu2Se2, was synthesized under high-pressure and high-temperature conditions and was characterized via structural, magnetic, and transport measurements. It crystallizes into space group I4/mmm and consists of a square lattice of [CuO2] planes and antifluorite-type [Cu2Se2] layers, which are alternately stacked along the c axis. The lattice parameters are obtained as a = b = 4.0885 Å and c = 19.6887 Å. The Cu–O bond length is given by half of the lattice constant a, i.e., 2.0443 Å. Ba2CuO2Cu2Se2 is a semiconductor with a resistivity of ∼18 mΩ·cm at room temperature. No magnetic transition was found in the measured temperature range, and the Curie–Weiss temperature was obtained as −0.2 K, suggesting a very weak exchange interaction. The DFT+Ueff calculation demonstrates that the band gap is about 0.2 eV for the supposed antiferromagnetic order, and the density of state near the top of the valence band is mainly contributed from the Se 4p electrons.

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Language(s): eng - English
 Dates: 2018-04-092018-04-09
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: DOI: 10.1021/acs.inorgchem.8b00171
 Degree: -

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Title: Inorganic Chemistry
  Abbreviation : Inorg. Chem.
Source Genre: Journal
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Publ. Info: Washington, DC : American Chemical Society
Pages: - Volume / Issue: 57 (9) Sequence Number: - Start / End Page: 5108 - 5113 Identifier: ISSN: 0020-1669
CoNE: /journals/resource/0020-1669