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Stoichiometric Effects on the Photoelectric Properties of LiInSe2 Crystals for Neutron Detection
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2018-04-16 00:00:00 , DOI: 10.1021/acs.cgd.7b01705 Lijian Guo 1 , Yadong Xu 1 , Hongjian Zheng , Wangqi Xue , Jiangpeng Dong , Binbin Zhang , Yihui He 1 , Gangqiang Zha , Duck Young Chung 2 , Wanqi Jie , Mercouri G. Kanatzidis 1, 2
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2018-04-16 00:00:00 , DOI: 10.1021/acs.cgd.7b01705 Lijian Guo 1 , Yadong Xu 1 , Hongjian Zheng , Wangqi Xue , Jiangpeng Dong , Binbin Zhang , Yihui He 1 , Gangqiang Zha , Duck Young Chung 2 , Wanqi Jie , Mercouri G. Kanatzidis 1, 2
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6LiInSe2 is a promising semiconductor candidate for thermal neutron detection due to its large capture cross-section. However, the charge collection efficiency is still insufficient for high resolution for the grown-in defects induced by the stoichiometric deviation. In this work, we report photoelectric properties of stoichiometric LiInSe2 crystal boules up to 70 mm in length and 20 mm in diameter grown by the vertical Bridgman method. Inductively coupled plasma measurements demonstrate that the ratio of Li, In, and Se of the as-grown crystal is very close to 1:1:2, which is optimized by low temperature synthesis processing. The obtained single crystals display high bulk resistivity in the range of 1011–1012 Ω·cm and a direct band gap of 2.01–2.83 eV with a changeable color from red to yellow. The electronic structure of LiInSe2 was studied using first-principles density functional theory calculations, which predicts that the antisite defects of InLi and LiIn are the dominant factor for the different crystal colors observed. The stoichiometric LiInSe2 crystal gives an improved energy resolution, for a semiconductor detector when illuminated with a 241[email protected] MeV α source, of 23.3%. The electron mobility-lifetime product (μτ) is ∼2.5 × 10–5 cm2 V–1.
中文翻译：
化学计量对中子检测LiInSe 2晶体光电性能的影响
6 LiInSe 2由于具有大的捕获截面，因此是用于热中子检测的有希望的半导体候选物。但是，对于由化学计量偏差引起的长大的缺陷，电荷收集效率仍不足以实现高分辨率。在这项工作中，我们报告了通过垂直Bridgman方法生长的化学计量LiInSe 2晶体棒的光电性能，其长度可达70 mm，直径可达20 mm。电感耦合等离子体测量结果表明，初生晶体的Li，In和Se之比非常接近1：1：2，这是通过低温合成工艺进行优化的。所获得的单晶在10 11 –10 12范围内显示出较高的体电阻率Ω·cm，直接带隙为2.01-2.83 eV，颜色从红色变为黄色。利用第一性原理密度泛函理论计算研究了LiInSe 2的电子结构，这表明In Li和Li In的反位缺陷是观察到的不同晶体颜色的主导因素。当用241个[受电子邮件保护的] MeVα源照射时，化学计量的LiInSe 2晶体为半导体检测器提供了提高的能量分辨率，为23.3％。电子迁移率与寿命的乘积（μτ）为〜2.5×10 –5 cm 2 V –1。
更新日期：2018-04-16
中文翻译：
化学计量对中子检测LiInSe 2晶体光电性能的影响
6 LiInSe 2由于具有大的捕获截面，因此是用于热中子检测的有希望的半导体候选物。但是，对于由化学计量偏差引起的长大的缺陷，电荷收集效率仍不足以实现高分辨率。在这项工作中，我们报告了通过垂直Bridgman方法生长的化学计量LiInSe 2晶体棒的光电性能，其长度可达70 mm，直径可达20 mm。电感耦合等离子体测量结果表明，初生晶体的Li，In和Se之比非常接近1：1：2，这是通过低温合成工艺进行优化的。所获得的单晶在10 11 –10 12范围内显示出较高的体电阻率Ω·cm，直接带隙为2.01-2.83 eV，颜色从红色变为黄色。利用第一性原理密度泛函理论计算研究了LiInSe 2的电子结构，这表明In Li和Li In的反位缺陷是观察到的不同晶体颜色的主导因素。当用241个[受电子邮件保护的] MeVα源照射时，化学计量的LiInSe 2晶体为半导体检测器提供了提高的能量分辨率，为23.3％。电子迁移率与寿命的乘积（μτ）为〜2.5×10 –5 cm 2 V –1。
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