论文标题
对2D材料中激子应用的变异方法的座谈会
A colloquium on the variational method applied to excitons in 2D materials
论文作者
论文摘要
在这个座谈会中,我们从变分计算的角度回顾了范德华异质结构中的激子的研究。我们首先介绍了当前和过去的文献,然后讨论实验结果与理论结果之间的联系。特别是,我们将文献的综述集中在吸收光谱和极化性上,以及鲜明的转移和解离率。之后,我们开始讨论在激子研究中使用变异方法。我们最初将电子孔相互作用建模为软蛋白脉电位,可用于描述层间激子。使用\ emph {ansatz},基于二维量子谐波振荡器的解决方案,我们研究了rytova-keldysh电位,该电位适合描述二维(2D)材料中的内部激子。然后根据2D氢原子的精确波函数,将这些变分的能量用不同的\ emph {ansatz}重新计算,并比较获得的能量曲线。之后,我们讨论了Wannier-Mott激子模型,在重点介绍该模型的应用之前对其进行简要审查,以获得激子吸收光谱和结合能的某些材料物理参数值。最后,我们简要地讨论了层中激子中电子孔相互作用的近似值,作为谐波电位,并比较获得的结果与从第一(Priminciples计算和实验测量值)中现有值的现有值进行了比较。
In this colloquium, we review the research on excitons in van der Waals heterostructures from the point of view of variational calculations. We first make a presentation of the current and past literature, followed by a discussion on the connections between experimental and theoretical results. In particular, we focus our review of the literature on the absorption spectrum and polarizability, as well as the Stark shift and the dissociation rate. Afterwards, we begin the discussion of the use of variational methods in the study of excitons. We initially model the electron-hole interaction as a soft-Coulomb potential, which can be used to describe interlayer excitons. Using an \emph{ansatz}, based on the solution for the two-dimensional quantum harmonic oscillator, we study the Rytova-Keldysh potential, which is appropriate to describe intralayer excitons in two-dimensional (2D) materials. These variational energies are then recalculated with a different \emph{ansatz}, based on the exact wavefunction of the 2D hydrogen atom, and the obtained energy curves are compared. Afterwards, we discuss the Wannier-Mott exciton model, reviewing it briefly before focusing on an application of this model to obtain both the exciton absorption spectrum and the binding energies for certain values of the physical parameters of the materials. Finally, we briefly discuss an approximation of the electron-hole interaction in interlayer excitons as an harmonic potential and the comparison of the obtained results with the existing values from both first--principles calculations and experimental measurements.