Ba2Cu(18-x)As10

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

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

Research output: Contribution to journalArticle

8 Citations (Scopus)

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 languageEnglish
Pages (from-to)3133-3138
Number of pages6
JournalChemistry of Materials
Volume12
Issue number10
DOIs
Publication statusPublished - 2000

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Copper
Tunnels
Metallic compounds
Atoms
Seebeck coefficient
Graphite
Bottles
Barium
Band structure
Vacancies
Single crystals
X ray diffraction
Defects
Temperature
Direction compound

ASJC Scopus subject areas

  • Materials Chemistry
  • Materials Science(all)

Cite this

Ba2Cu(18-x)As10 : A new mixed-valent ternary copper-rich arsenide with metallic properties. / Kim, S. J.; Ireland, J.; Kannewurf, C. R.; Kanatzidis, Mercouri G.

In: Chemistry of Materials, Vol. 12, No. 10, 2000, p. 3133-3138.

Research output: Contribution to journalArticle

Kim, S. J. ; Ireland, J. ; Kannewurf, C. R. ; Kanatzidis, Mercouri G. / Ba2Cu(18-x)As10 : A new mixed-valent ternary copper-rich arsenide with metallic properties. In: Chemistry of Materials. 2000 ; Vol. 12, No. 10. pp. 3133-3138.
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