Ba2Cu(18-x)As10: A new mixed-valent ternary copper-rich arsenide with metallic properties

S. J. Kim; J. Ireland; C. R. Kannewurf; M. G. Kanatzidis

doi:10.1021/cm0001455

Ba₂Cu(18-x)As₁₀: A new mixed-valent ternary copper-rich arsenide with metallic properties

S. J. Kim, J. Ireland, C. R. Kannewurf, M. G. Kanatzidis

Department of Chemistry & Nanoscience

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

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Abstract

The new barium copper pnictide Ba₂Cu(18-x)As₁₀ (x ≃ 1.67) was obtained from a direct element combination reaction in a sealed graphite tube at 700 °C, and its structure was determined by single-crystal X-ray diffraction methods. It crystallizes in the trigonal space group P31c (No. 163) with a = 6.7329(1) Å, c = 11.6747(2) Å, and Z = 1. Ba₂Cu(18-x)As₁₀ has a three-dimensional structure with straight bottle-shape parallel tunnels running along the c-direction. The Ba atoms reside in the tunnels. The [Cu(18-x)As₁₀]^4- framework features Cu atom vacancies with x = 1.67. The compound is metallic with a room-temperature resistivity along the c-axis of 1.7 x 10^-4 Ω·cm and a Seebeck coefficient of ~+2.5 μV/K. Band structure calculations in the extended Huckel approximation suggest that the defects on the Cu sites enhance its metallic character.

Original language	English
Pages (from-to)	3133-3138
Number of pages	6
Journal	Chemistry of Materials
Volume	12
Issue number	10
DOIs	https://doi.org/10.1021/cm0001455
State	Published - 2000

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@article{8b4760ff981f45d4a05ff5e750133bc6,

title = "Ba2Cu(18-x)As10: A new mixed-valent ternary copper-rich arsenide with metallic properties",

abstract = "The new barium copper pnictide Ba2Cu(18-x)As10 (x ≃ 1.67) was obtained from a direct element combination reaction in a sealed graphite tube at 700 °C, and its structure was determined by single-crystal X-ray diffraction methods. It crystallizes in the trigonal space group P31c (No. 163) with a = 6.7329(1) {\AA}, c = 11.6747(2) {\AA}, and Z = 1. Ba2Cu(18-x)As10 has a three-dimensional structure with straight bottle-shape parallel tunnels running along the c-direction. The Ba atoms reside in the tunnels. The [Cu(18-x)As10]4- framework features Cu atom vacancies with x = 1.67. The compound is metallic with a room-temperature resistivity along the c-axis of 1.7 x 10-4 Ω·cm and a Seebeck coefficient of ~+2.5 μV/K. Band structure calculations in the extended Huckel approximation suggest that the defects on the Cu sites enhance its metallic character.",

author = "Kim, {S. J.} and J. Ireland and Kannewurf, {C. R.} and Kanatzidis, {M. G.}",

year = "2000",

doi = "10.1021/cm0001455",

language = "English",

volume = "12",

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journal = "Chemistry of Materials",

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T2 - A new mixed-valent ternary copper-rich arsenide with metallic properties

AU - Kim, S. J.

AU - Ireland, J.

AU - Kannewurf, C. R.

AU - Kanatzidis, M. G.

PY - 2000

Y1 - 2000

N2 - The new barium copper pnictide Ba2Cu(18-x)As10 (x ≃ 1.67) was obtained from a direct element combination reaction in a sealed graphite tube at 700 °C, and its structure was determined by single-crystal X-ray diffraction methods. It crystallizes in the trigonal space group P31c (No. 163) with a = 6.7329(1) Å, c = 11.6747(2) Å, and Z = 1. Ba2Cu(18-x)As10 has a three-dimensional structure with straight bottle-shape parallel tunnels running along the c-direction. The Ba atoms reside in the tunnels. The [Cu(18-x)As10]4- framework features Cu atom vacancies with x = 1.67. The compound is metallic with a room-temperature resistivity along the c-axis of 1.7 x 10-4 Ω·cm and a Seebeck coefficient of ~+2.5 μV/K. Band structure calculations in the extended Huckel approximation suggest that the defects on the Cu sites enhance its metallic character.

AB - The new barium copper pnictide Ba2Cu(18-x)As10 (x ≃ 1.67) was obtained from a direct element combination reaction in a sealed graphite tube at 700 °C, and its structure was determined by single-crystal X-ray diffraction methods. It crystallizes in the trigonal space group P31c (No. 163) with a = 6.7329(1) Å, c = 11.6747(2) Å, and Z = 1. Ba2Cu(18-x)As10 has a three-dimensional structure with straight bottle-shape parallel tunnels running along the c-direction. The Ba atoms reside in the tunnels. The [Cu(18-x)As10]4- framework features Cu atom vacancies with x = 1.67. The compound is metallic with a room-temperature resistivity along the c-axis of 1.7 x 10-4 Ω·cm and a Seebeck coefficient of ~+2.5 μV/K. Band structure calculations in the extended Huckel approximation suggest that the defects on the Cu sites enhance its metallic character.

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SN - 0897-4756

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EP - 3138

JO - Chemistry of Materials

JF - Chemistry of Materials

IS - 10

ER -

Ba2Cu(18-x)As10: A new mixed-valent ternary copper-rich arsenide with metallic properties

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Ba₂Cu(18-x)As₁₀: A new mixed-valent ternary copper-rich arsenide with metallic properties