半导体中非平衡载体的有效寿命来自非adiabatic分子动力学模拟的半导体
Shanshan Wang1,2, Menglin Huang1, Yu-Ning Wu2
1State Key Laboratory of ASIC and System, School of Microelectronics, Fudan University, Shanghai, China.
Nature computational science
|January 4, 2024
概括
准确计算半导体载体寿命需要考虑所有重组路径和现实的缺陷密度. 这种新方法弥合了对矿,CdTe和GaAs等材料的建模和实验之间的差距.
科学领域:
- 材料科学 材料科学 材料科学
- 固态物理 固态物理
- 计算化学的计算化学
背景情况:
- 非adiabatic分子动力学模拟通常会产生与实验值显著偏离的载体寿命.
- 准确计算载体寿命对于理解和优化半导体设备性能至关重要.
研究的目的:
- 在现实的条件下,开发一种系统的程序来计算半导体晶体的有效载体寿命.
- 调和理论建模与载体寿命实验测量之间的差异.
主要方法:
- 重新审视运输商生命周期的基本定义.
- 包括所有相关的重组机制 (辐射和非辐射).
- 在模拟中使用适当的载体和缺陷密度.
主要成果:
- 在半导体中计算有效载体寿命的验证程序.
- 与甲基酸 (CH3NH3PbI3) 的实验数据的证明一致.
- 在CH3NH3PbI3中确定带对带辐射和Shockley-Read-Hall缺陷辅助的非辐射重组是主导的,带对带非辐射重组是可以忽略的.
结论:
- 开发的程序通过考虑所有重组机制和现实的密度,准确地预测载体寿命.
- 该方法适用于各种半导体材料,包括矿,CdTe和GaAs.
- 这项工作为半导体研究中更可靠的载体寿命模拟提供了途径.
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