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
AN - SCOPUS:84969799576
VL - 55
SP - 4884
EP - 4890
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 10
ER -