Synthesis, structure, and electronic properties of Cu2SiQ3 (Q = S, Se)

被引：34

作者：

Chen, XA ^{[1
]}

Wada, H ^{[1
]}

Sato, A ^{[1
]}

Nozaki, H ^{[1
]}

机构：

[1] Natl Inst Res Inorgan Mat, Tsukuba, Ibaraki 305, Japan

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 1999年 / 290卷 / 1-2期

基金：

日本科学技术振兴机构;

关键词：

Cu2Si3; (Q; S; Se); crystal structure; electronic structure; properties;

D O I：

10.1016/S0925-8388(99)00208-X

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Cu2SiS3 was prepared by the reaction of the constituent binary chalcogenides and elements at 800 degrees C, and the isotypic selenium compound was synthesized by using a KCl/LiCl flux at 550 degrees C. Their crystal structures were determined from single-crystal X-ray data (Cu2SiS3: a=6.332(1), b=11.230(1), c=6.273(1) Angstrom, beta=107.49(1)degrees, Z=4, R=0.0319 for 2383 reflections and 54 variables. Cu2SiSe3: a=6.669(1), b=11.797(1), c=6.633(1) Angstrom, beta=107.67(1)degrees, Z=4, R=0.0279 for 1976 reflections and 54 variables). The crystal structure may be described as a monoclinic superstructure of sphalerite type, in which sulfur atoms form a slightly distorted cubic close-packed sublattice, and the Cu and Si atoms are located at one-half of the available tetrahedral Voids between the S-layers. The DSC measurement indicated the incongruent decomposition of Cu2SiSe3 at 632.2 degrees C, and the electrical resistivity measurements confirmed the expected semiconducting behaviour of both compounds. (C) 1999 Elsevier Science S.A. All rights reserved.

引用

页码：91 / 96

页数：6

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