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

共 50 条

[1] Theoretical elastic stiffness of quaternary crystal Y3Si5N9O by first-principles investigation
Wang, Jingyang
Zhou, Yanchun
Lin, Zhijun
Ohno, Takahisa
PHYSICAL REVIEW B, 2008, 77 (10)
[2] Electronic structure and bonding in the Y-Si-O-N quaternary crystals
Ching, WY
Ouyang, LZ
Yao, HZ
Xu, YN
PHYSICAL REVIEW B, 2004, 70 (08) : 085105 - 1
[3] The crystal structure of Y3Si5N9O and revision of the compositions of some high nitrogen-containing M-Si-O-N (M = Y, La) phases
Liddell, K
Thompson, DP
JOURNAL OF MATERIALS CHEMISTRY, 2001, 11 (02) : 507 - 512
[4] Atomic and electronic structure of the Si/SrTiO3 interface -: art. no. 125323
Zhang, X
Demkov, AA
Li, H
Hu, X
Wei, Y
Kulik, J
PHYSICAL REVIEW B, 2003, 68 (12)
[5] Site occupation and spectroscopic properties of Ce3+ in Y3Si5N9O from first-principles calculations
Ning, Lixin (ninglx@mail.ahnu.edu.cn), 1600, Elsevier Ltd (730):
[6] Site occupation and spectroscopic properties of Ce3+ in Y3Si5N9O from first-principles calculations
Huang, Xiaoxiao
Sun, Jiancheng
Wen, Jun
Huang, Yucheng
Ning, Lixin
JOURNAL OF ALLOYS AND COMPOUNDS, 2018, 730 : 57 - 61
[7] Electronic and magnetic structure of CsV2O5 -: art. no. 144445
Valentí, R
Saha-Dasgupta, T
PHYSICAL REVIEW B, 2002, 65 (14): : 1 - 6
[8] Electronic structure of CeCoIn5 -: art. no. 132507
Costa-Quintana, J
López-Aguilar, F
PHYSICAL REVIEW B, 2003, 67 (13)
[9] Crystal structure and Kondo lattice behavior of CeNi9Si4 -: art. no. 224428
Michor, H
Berger, S
El-Hagary, M
Paul, C
Bauer, E
Hilscher, G
Rogl, P
Giester, G
PHYSICAL REVIEW B, 2003, 67 (22):
[10] Extra-Broad Band Orange-Emitting Ce3+-Doped Y3Si5N9O Phosphor for Solid-State Lighting: Electronic, Crystal Structures and Luminescence Properties
Zhu, Qiang-Qiang
Wang, Le
Hirosaki, Naoto
Hao, Lu Yuan
Xu, Xin
Xie, Rong-Jun
CHEMISTRY OF MATERIALS, 2016, 28 (13) : 4829 - 4839

← 1 2 3 4 5 →