Mixed-Valent NaCu4Se3

A Two-Dimensional Metal

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

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

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
Pages (from-to)4884-4890
Number of pages7
JournalInorganic Chemistry
Volume55
Issue number10
DOIs
Publication statusPublished - May 16 2016

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Paramagnetism
Thermoelectric power
Hall effect
Lattice constants
Electronic structure
Density functional theory
Cations
Copper
copper selenides
Metals
Atoms
paramagnetism
metals
slabs
conductors
density functional theory
electronic structure
cations
conductivity
Temperature

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry

Cite this

Sturza, M., Bugaris, D. E., Malliakas, C. D., Han, F., Chung, D. Y., & Kanatzidis, M. G. (2016). Mixed-Valent NaCu4Se3: A Two-Dimensional Metal. Inorganic Chemistry, 55(10), 4884-4890. https://doi.org/10.1021/acs.inorgchem.6b00400

Mixed-Valent NaCu4Se3 : A Two-Dimensional Metal. / Sturza, Mihai; Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei; Chung, Duck Young; Kanatzidis, Mercouri G.

In: Inorganic Chemistry, Vol. 55, No. 10, 16.05.2016, p. 4884-4890.

Research output: Contribution to journalArticle

Sturza, M, Bugaris, DE, Malliakas, CD, Han, F, Chung, DY & Kanatzidis, MG 2016, 'Mixed-Valent NaCu4Se3: A Two-Dimensional Metal', Inorganic Chemistry, vol. 55, no. 10, pp. 4884-4890. https://doi.org/10.1021/acs.inorgchem.6b00400
Sturza M, Bugaris DE, Malliakas CD, Han F, Chung DY, Kanatzidis MG. Mixed-Valent NaCu4Se3: A Two-Dimensional Metal. Inorganic Chemistry. 2016 May 16;55(10):4884-4890. https://doi.org/10.1021/acs.inorgchem.6b00400
Sturza, Mihai ; Bugaris, Daniel E. ; Malliakas, Christos D. ; Han, Fei ; Chung, Duck Young ; Kanatzidis, Mercouri G. / Mixed-Valent NaCu4Se3 : A Two-Dimensional Metal. In: Inorganic Chemistry. 2016 ; Vol. 55, No. 10. pp. 4884-4890.
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AB - 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.

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