First-Principles Studies and Predictions of Scintillation in Ce-Doped Materials

被引：25

作者：

Canning, Andrew ^{[1
]}

Boutchko, Rostyslav ^{[2
]}

Chaudhry, Anurag ^{[2
]}

Derenzo, Stephen E. ^{[2
]}

机构：

[1] Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA

[2] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA

来源：

IEEE TRANSACTIONS ON NUCLEAR SCIENCE | 2009年 / 56卷 / 03期

关键词：

Cerium-doped; first-principles; scintillators;

D O I：

10.1109/TNS.2009.2019645

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

A theoretical approach based on first-principles calculations is used to select candidate Ce activated scintillator materials for synthesis. Our theoretical approach involves the calculation of the ground state band structure of the Ce-doped material as well as the calculation of the (Ce3+)* excited state. From our theoretical studies of known scintillators and non-scintillators we have developed a set of criteria that are necessary characteristics of bright Ce activated scintillators. Applying these criteria to new compounds we were able to successfully predict that Ba2YCl7 : Ce would be a bright scintillator.

引用

页码：944 / 948

页数：5

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