Density functional study for optical properties of blue silicate phosphor: BaCa2MgSi2O8

被引：1

作者：

Ishida, M. ^{[1
]}

Imanari, Y. ^{[2
]}

Isobe, T. ^{[2
,3
]}

Kuze, S. ^{[2
]}

Ezuhara, T. ^{[2
,4
]}

Umeda, T. ^{[2
,3
]}

Ohno, K. ^{[2
,5
]}

Miyazaki, S. ^{[2
,6
]}

机构：

[1] Sumitomo Chem Co Ltd, Adv Mat Res Lab, 6 Kitahara, Tsukuba, Ibaraki 3003294, Japan

[2] Sumitomo Chem Co Ltd, Tsukuba Mat Dev Lab, Tsukuba, Ibaraki 3003294, Japan

[3] Sumitomo Chem Co Ltd, Basic Chem Res Lab, Niihama, Ehime 7928521, Japan

[4] Sumitomo Chem Co Ltd, IT Related Chem Sect, Batttery Mat Div, Niihama, Ehime 7920015, Japan

[5] Sumitomo Chem Co Ltd, Intellectual Property Dept, Chuo Ku, Osaka 5418550, Japan

[6] JACI, Chiyoda Ku, Tokyo 1020075, Japan

来源：

24TH IUPAP CONFERENCE ON COMPUTATIONAL PHYSICS (IUPAP-CCP 2012) | 2013年 / 454卷

关键词：

CRYSTAL-STRUCTURE; CAMGSI2O6-EU2+; LUMINESCENCE;

D O I：

10.1088/1742-6596/454/1/012062

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A density functional calculation is performed to investigate optical properties of blue silicate phosphor, BaCa2MgSi2O8:Eu (BCMS: Eu). The optical absorption and emission processes are discussed based on electronic band structures and density of states. Our calculation indicates that hybridization of the wave function plays an important role for nonradiative migration of electrons and holes. Our results also explain adequately the luminescence feature of BCMS which exhibits two components of blue emission from Eu ion substituted for Ba and Ca site. In addition, it is shown that the structural relaxation around Eu ion does work effectively to describe appropriately the difference of crystal field strength between Ba and Ca sites in BCMS host.

引用

页数：9

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