Synthesis and Structural and Physical Properties of New Semiconducting Quaternary Tellurides: Ba4Ag3.95Ge2Te9 and Ba4Cu3.71Ge2Te9

被引：18

作者：

Cui, Yanjie ^{[1
]}

Assoud, Abdeljalil ^{[1
]}

Kleinke, Holger ^{[1
]}

机构：

[1] Univ Waterloo, Dept Chem, Waterloo, ON N2L 3G1, Canada

来源：

INORGANIC CHEMISTRY | 2009年 / 48卷 / 12期

基金：

加拿大自然科学与工程研究理事会;

关键词：

LOW THERMAL-CONDUCTIVITY; THERMOELECTRIC PROPERTIES; CRYSTAL-STRUCTURE; ELECTRONIC-STRUCTURE; SELENIDE; HAMILTON; SYSTEMS; ALLOYS; UNITS;

D O I：

10.1021/ic9002884

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Two quaternary tellurides, Ba4Ag3.95Ge2Te9 and Ba4Cu3.71Ge2Te9, were prepared in evacuated silica tubes at 750 degrees C. Both tellurides crystallize in space group Pbam, with lattice parameters of a = 8.6835(3) angstrom, b = 13.6421(4) angstrom, c = 10.2612(3) angstrom, and V = 1215.55(7) angstrom(3) (Z = 2) for Ba4Ag3.95Ge2Te9 and a = 8.6464(2) angstrom, b = 13.5305(4) angstrom, c = 10.0810(3) angstrom, and V = 1179.38(6) angstrom(3) (Z = 2) for Ba4Cu3.71Ge2Te9. These structures are comprised of planar Ag-4/Cu-4 clusters and dimeric Ge2Te6 units, which are interconnected through Te atoms into a three-dimensional structure. Several split sites in the case of Ba4Cu3.71Ge2Te9 are reflected in additional, different clusters, including a linear Cu-3 unit. The covalent Ag-Te/Ge-Te network surrounds a one-dimensional linear channel running along the c direction, encompassing the Ba atoms. Electronic structure calculations and transport property measurements show that these two compounds are p-type semiconductors with calculated band gaps of 0.24 eV for the Ag compound and 1.0 eV for the Cu compound.

引用

页码：5313 / 5319

页数：7

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