Electronic structures and luminescence properties of YNbO4 and YNbO4:Bi

被引：66

作者：

Lee, SK ^{[1
]}

Chang, H

Han, CH

Kim, HJ

Jang, HG

Park, HD

机构：

[1] Korea Univ, Dept Chem, Seoul 131701, South Korea

[2] Halla Univ, Dept Chem, Wonju 220712, South Korea

[3] Korea Res Inst Chem Technol, Adv Mat Div, Taejon 305600, South Korea

来源：

JOURNAL OF SOLID STATE CHEMISTRY | 2001年 / 156卷 / 02期

关键词：

YNbO4; density functional theory; blue phosphor; charge transfer;

D O I：

10.1006/jssc.2000.8941

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The luminescence properties of fergusonite phosphors, YNbO4 and YNbO4:Bi, were investigated with photoluminescence (PL) measurements and first-principles calculations. The various absorption spectra of these phosphors have been interpreted using the calculated partial density of states in the framework of density functional theory. We were able to determine the charge-transfer gap of YNbO4, 4.3 eV, that agrees well with our experimental measurement. From our analysis of PL spectra and calculations, we have investigated the Bi effect in YNbO4:Bi, which shows an excitation peak at a longer wavelength than YNbO4. We have found that the charge transfer from oxygen to bismuth is the main reason for the peak position shift in the excitation spectra. (C) 2001 Academic Press.

引用

页码：267 / 273

页数：7

共 16 条

[11] SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].