Chlorine termination of selenium dangling bonds decreases tellurium-diffusion-induced acceptor states in hexagonal selenium
Chlorine termination of selenium dangling bonds decreases tellurium-diffusion-induced acceptor states in hexagonal selenium
复制标题
硒悬键的氯终止降低了六方硒中碲扩散诱导的受体态
DOI：
10.1063/5.0009696
复制
发表时间：
2020
影响因子：
4
通讯作者：
M. Nanba
中科院分区：
文献类型：
--
作者：
S. Imura;K. Mineo;K. Miyakawa;M. Kubota;M. Nanba
在这项研究中，我们研究了掺杂氯（Cl）到晶体硒（c-Se）减少碲扩散诱导的浅受主态与悬空键，出现在硒链的末端通过理论分析与第一性原理计算的影响。在这个模型中，带负电荷的悬挂键可以通过插入一价Cl原子来中和。此外，通过掺杂Cl到制备的Se薄膜中的缺陷终止实验证明。低温阴极发光测量表明，受体相关的发射从c-Se膜显着降低由Cl终止的悬挂键，实验证实了模拟的结果。
In this study, we examined the effects of doping chlorine (Cl) into crystalline selenium (c-Se) on diminishing the tellurium-diffusion-induced shallow acceptor states associated with the dangling bonds that appear at the ends of Se chains by theoretical analysis with the first-principles calculations. In this model, the negatively charged dangling bonds can be neutralized by inserting monovalent Cl atoms. Furthermore, the defect termination by doping Cl into fabricated Se thin films was experimentally demonstrated. Low-temperature cathodoluminescence measurements were implemented to show that acceptor-related emissions from the c-Se films were significantly decreased by Cl termination of the dangling bonds, experimentally confirming the results of the simulations.