Structure and bonding in a cubic phase of SiAlON derived from the cubic spinel phase of Si3N4

被引：16

作者：

Ouyang, L ^{[1
]}

Ching, WY ^{[1
]}

机构：

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

来源：

APPLIED PHYSICS LETTERS | 2002年 / 81卷 / 02期

关键词：

D O I：

10.1063/1.1491004

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The structure and electronic bonding in the spinel SiAlON (Si6-zAlzOzN8-z, z=1) derived from the cubic c-Si3N4 are studied by a first-principles density functional method. Al prefers the octahedral site of the spinel lattice. The small energy difference between the four possible structural configurations indicates that the real SiAlON may be a random solid solution. The lowest energy configuration of c-Si5AlON7 is a semiconductor with a direct LDA band gap of 2.29 eV. (C) 2002 American Institute of Physics.

引用

页码：229 / 231

页数：3

共 31 条

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[2]

CHEN IW, 1993, MAT RES SOC S P, V287

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