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arXiv 2106.15973cond-mat.mes-hall
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二维半导体中激子-激子湮灭的微观理论

Microscopic Theory of Exciton-Exciton Annihilation in Two-Dimensional Semiconductors

Alexander Steinhoff, Matthias Florian, Frank Jahnke

摘要:

类俄歇激子-激子湮灭(EEA)被认为是二维(2d)材料中基于激子的器件中量子产率的关键基本限制。由于它是具有挑战性的实验解开EEA从竞争过程中,定量理论的指导是非常可取的。EEA的本质需要一个材料现实的描述,这是迄今为止没有的。我们提出了一个多体理论的基础上的第一性原理能带结构和库仑相互作用矩阵元素,超越了一个有效的玻色子图片的EEA。将我们的理论应用到单层MoS $_2$封装在六方BN中,我们在室温下获得了$10^{-3}$ cm $^{2}$ s $^{-1}$的EEA系数,这表明载流子损耗通常由其他过程,如缺陷辅助散射主导。我们的研究开辟了一个视角,以量化现代材料研究的焦点中各种二维材料中固有EEA过程的效率。

英文摘要:

Auger-like exciton-exciton annihilation (EEA) is considered the key fundamental limitation to quantum yield in devices based on excitons in two-dimensional (2d) materials. Since it is challenging to experimentally disentangle EEA from competing processes, guidance of a quantitative theory is highly desirable. The very nature of EEA requires a material-realistic description that is not available to date. We present a many-body theory of EEA based on first-principle band structures and Coulomb interaction matrix elements that goes beyond an effective bosonic picture. Applying our theory to monolayer MoS$_2$ encapsulated in hexagonal BN, we obtain an EEA coefficient in the order of $10^{-3}$ cm$^{2}$s$^{-1}$ at room temperature, suggesting that carrier losses are often dominated by other processes, such as defect-assisted scattering. Our studies open a perspective to quantify the efficiency of intrinsic EEA processes in various 2d materials in the focus of modern materials research.

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