Comparative Study of Nonproportionality and Electronic Band Structures Features in Scintillator Materials
Comparative Study of Nonproportionality and Electronic Band Structures Features in Scintillator Materials
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DOI：
10.1109/tns.2009.2027019
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发表时间：
2009-07
影响因子：
1.8
通讯作者：
W. Setyawan;R. Gaume;R. Feigelson;S. Curtarolo
中科院分区：
文献类型：
--
作者：
W. Setyawan;R. Gaume;R. Feigelson;S. Curtarolo
闪烁体材料中的非比例性的起源已经是四十多年来的一个长期存在的问题。在这篇手稿中，我们表明，第一原理建模的帮助下，参数化的非比例性的几个系统，相对于他们的能带结构曲率表明载流子有效质量和能量响应之间的相关性。我们将这种相关性归因于自由电子和空穴是主要能量载体的情况。激子振荡器没有显示出如此明确的趋势。该模型提出了一种潜在的高通量方法，用于在前一类材料中发现新的比例增溶剂。
The origin of nonproportionality in scintillator materials has been a long standing problem for more than four decades. In this manuscript, we show that, with the help of first principle modeling, the parameterization of the nonproportionality for several systems, with respect to their band structure curvature suggests a correlation between carrier effective mass and energy response. We attribute this correlation to the case where free electrons and holes are the major energy carriers. Excitonic scintillators do not show such a definitive trend. This model suggests a potential high-throughput approach for discovering novel proportional scintillators in the former class of materials.