Mixed-Valent NaCu4Se3: A Two-Dimensional Metal

被引：17

作者：

Sturza, Mihai ^{[1
,2
]}

Bugaris, Daniel E. ^{[1
]}

Malliakas, Christos D. ^{[1
,3
]}

Han, Fei ^{[1
]}

Chung, Duck Young ^{[1
]}

Kanatzidis, Mercouri G. ^{[1
,3
]}

机构：

[1] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA

[2] Leibniz Inst Solid State & Mat Res Dresden IFW, Inst Solid State Res, D-01069 Dresden, Germany

[3] Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA

来源：

INORGANIC CHEMISTRY | 2016年 / 55卷 / 10期

关键词：

COPPER CHALCOGENIDES; PHASE-TRANSITIONS; CRYSTAL-STRUCTURE; LAYERED COMPOUND; POLYCHALCOGENIDE; SALTS; K4CU8TE11; SELENIDES; NA3CU4S4; SULFIDES;

D O I：

10.1021/acs.inorgchem.6b00400

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

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) angstrom and c = 31.438(8) angstrom. Its structure is built from two-dimensional slabs of 2/infinity [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 similar to 300 S cm(-1) at room temperature and a thermopower of similar to 10 mu V K-1. Hall effect measurements indicate holes as the dominant carrier with a concentration of similar to 6.12(1) X 10(21) cm(-3) at 300 K. Density functional theory electronic structure calculations indicate p -type metallic behavior for the 2/infinity [Cu4Se3] framework, which is in a good agreement with the experimental metallic conductivity and Pauli paramagnetism.

引用

页码：4884 / 4890

页数：7

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