Electronic structure and bonding in quaternary crystal Y3Si5N9O -: art. no. 113101

被引：13

作者：

Xu, YN ^{[1
]}

Rulis, P ^{[1
]}

Ching, WY ^{[1
]}

机构：

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

来源：

PHYSICAL REVIEW B | 2005年 / 72卷 / 11期

关键词：

D O I：

10.1103/PhysRevB.72.113101

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electronic structure, bonding, and optical properties of a new quaternary crystal Y3Si5N9O have been calculated using a first-principles method. The results are compared with the other four Y-Si-O-N quaternary crystals in the SiO2-Y2O3-Si3N4 phase equilibrium diagram. Y3Si5N9O has a smaller band gap, larger optical dielectric constant, and stronger covalent bonding, which is attributed to its high N content in the crystal.

引用

页数：4

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