Excitons in Phosphorene: A Semi-Analytical Perturbative Approach

TL;DR

This paper introduces a semi-analytical perturbation-theory method for calculating exciton energies and wave functions in phosphorene, providing a simpler alternative to complex computational techniques.

Contribution

It presents a novel semi-analytical approach that accurately computes exciton properties in phosphorene, matching results from more demanding methods.

Findings

Results agree with Bethe-Salpeter and Monte Carlo calculations

Method efficiently computes wave functions in real and reciprocal space

Approach is simple, viable, and accurate for anisotropic 2D materials

Abstract

In this paper we develop a semi-analytical perturbation-theory approach to the calculation of the energy levels (binding energies) and wave functions of excitons in phosphorene. Our method gives both the exciton wave function in real and reciprocal spaces with the same ease. This latter aspect is important for the calculation of the nonlinear optical properties of phosphorene. We find that our results are in agreement with calculations based both on the Bethe-Salpeter equation and on Monte Carlo simulations, which are computationally much more demanding. Our approach thus introduces a simple, viable, and accurate method to address the problem of excitons in anisotropic two-dimensional materials.