Synthesis, crystal and band structures, and optical properties of a new lanthanide-alkaline earth tellurium(IV) oxide:: La2Ba(Te3O8)(TeO3)2

被引：31

作者：

Jiang, Hai-Long

Kong, Fang

Mao, Jiang-Gao ^{[1
]}

机构：

[1] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China

[2] Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China

来源：

JOURNAL OF SOLID STATE CHEMISTRY | 2007年 / 180卷 / 05期

基金：

中国国家自然科学基金;

关键词：

solid state reaction; crystal structure; band structure; La-Ba tellurium(IV) oxide; optical properties;

D O I：

10.1016/j.jssc.2007.04.002

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A new quaternary lanthanide alkaline-earth tellurium(IV) oxide, La2Ba(Te3O8)(TeO3)(2), has been prepared by the solid-state reaction and structurally characterized. The compound crystallizes in monoclinic space group C2/c with a = 19.119(3), b = 5.9923(5), c = 13.2970(19) angstrom, 107.646(8)degrees, V = 1451.7(3) angstrom(3) and Z = 4. La2Ba(Te3O8)(TeO3)(2) features a 3D network structure in which the cationic [La2Ba(TeO3)2 layers are cross-linked by Te3O84- anions. Both band structure calculation by the DFT method and optical diffuse reflectance spectrum measurements indicate that LaBa(Te3O8)(TeO3)(2) is a wide band-gap semiconductor. (c) 2007 Elsevier Inc. All rights reserved.

引用

页码：1764 / 1769

页数：6

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