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 language | English |
|---|---|
| Pages (from-to) | 4884-4890 |
| Number of pages | 7 |
| Journal | Inorganic Chemistry |
| Volume | 55 |
| Issue number | 10 |
| DOIs | |
| Publication status | Published - May 16 2016 |
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ASJC Scopus subject areas
- Inorganic Chemistry
- Physical and Theoretical Chemistry
Cite this
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 journal › Article
}
TY - JOUR
T1 - Mixed-Valent NaCu4Se3
T2 - A Two-Dimensional Metal
AU - Sturza, Mihai
AU - Bugaris, Daniel E.
AU - Malliakas, Christos D.
AU - Han, Fei
AU - Chung, Duck Young
AU - Kanatzidis, Mercouri G
PY - 2016/5/16
Y1 - 2016/5/16
N2 - 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.
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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U2 - 10.1021/acs.inorgchem.6b00400
DO - 10.1021/acs.inorgchem.6b00400
M3 - Article
VL - 55
SP - 4884
EP - 4890
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 10
ER -