Mixed-Valent NaCu4Se3: A Two-Dimensional Metal

Mihai Sturza, Daniel E. Bugaris, Christos D. Malliakas, Fei Han, Duck Young Chung, Mercouri G. Kanatzidis*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

12 Scopus citations


The new ternary copper selenide NaCu4Se3 crystallizes in the RbCd4As3 structure type with the trigonal space group R3m and lattice constants a = 4.0316(4) Å and c = 31.438(8) Å. Its structure is built from two-dimensional slabs of 2/[Cu4Se3] separated by Na+ cations. The compound is formally mixed-valent with Se2-/Se- atoms and exhibits metallic properties. It is a hole conductor with an electrical conductivity of ∼300 S cm-1 at room temperature and a thermopower of ∼10 μV K-1. Hall effect measurements indicate holes as the dominant carrier with a concentration of ∼6.12(1) × 1021 cm-3 at 300 K. Density functional theory electronic structure calculations indicate p-type metallic behavior for the 2/[Cu4Se3] framework, which is in a good agreement with the experimental metallic conductivity and Pauli paramagnetism.

Original languageEnglish (US)
Pages (from-to)4884-4890
Number of pages7
JournalInorganic chemistry
Issue number10
StatePublished - May 16 2016

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry


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