Crystal structure, electronic structure and physical properties of a new semiconducting thallium. antimony selenide:: Tl2.35Sb8.65Se14

被引：4
|
作者：
Xu, Jianxiao [1 ]
Assoud, Abdeljalil [1 ]
Cui, Yanjie [1 ]
Kleinke, Holger [1 ]
机构：
[1] Univ Waterloo, Dept Chem, Waterloo, ON N2L 3G1, Canada
来源：
SOLID STATE SCIENCES | 2008年 / 10卷 / 09期
基金：
加拿大自然科学与工程研究理事会;
关键词：
thallium; antimony; selenide; crystal structure; electronic structure; semiconductor;
D O I：
10.1016/j.solidstatesciences.2007.12.013
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
A new ternary thallium selenide has been synthesized from the elements in the stoichiometric ratio at 650 degrees C under vacuum. Tl(2.35)Sb(8.65)Se(14) crystallizes in the space group P2(1)/m with a = 17.201(2) angstrom, b = 4.0792(5) angstrom, c = 21.196(3) angstrom, beta = 109.303(3)degrees, V = 1403.6(3) angstrom(3). The structure is composed of distorted edge-sharing SbSe(6) octahedra, while the Tl atoms are coordinated by 8-9 Se atoms. The title compound is a black semiconductor in accord with the electronic structure calculation. Transport property measurements confirm that this compound is an n-type semiconductor with an electrical conductivity of sigma = 3.9 x 10(-40) Omega(-1) cm(-1) and a Seebeck coefficient of S = -452 mu V K(-1) at 300 K. The optical band gap was determined via spectroscopy to be 0.6 eV. (C) 2007 Elsevier Masson SAS. All rights reserved.
引用
收藏
页码：1159 / 1165
页数：7
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