Electronic structure and bonding in crystalline Y10[SiO4]6N2

被引：7

作者：

Ching, WY ^{[1
]}

Xu, YN ^{[1
]}

Ouyang, LZ ^{[1
]}

机构：

[1] Univ Missouri, Dept Phys, Kansas City, MO 64110 USA

来源：

JOURNAL OF THE AMERICAN CERAMIC SOCIETY | 2003年 / 86卷 / 08期

关键词：

D O I：

10.1111/j.1151-2916.2003.tb03487.x

中图分类号：

TQ174 [陶瓷工业]; TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The electronic structure and bonding of the complex ceramic crystal Y-10[SiO4](6)N-2 is studied by a first-principles method. It is shown that this crystal is an insulator with a direct band gap of 1.3 eV. It has some unique properties related to the one-dimensional chain structure in the c-direction and the planar N-Y bonding in the x-y plane.

引用

页码：1424 / 1426

页数：3

共 21 条

[1]

[Anonymous], 1944, Proceedings of the National Academy of Sciences of the United States of America

[2] THEORETICAL-STUDIES OF THE ELECTRONIC-PROPERTIES OF CERAMIC MATERIALS [J].