Tensor network methods for bound electron-hole complexes beyond strong and weak confinement in nanoplatelets

TL;DR

This paper introduces tensor network methods to efficiently compute bound electron-hole complexes in nanoplatelets, bridging the gap between weak and strong confinement regimes, and demonstrates their effectiveness through calculations of excitonic and trionic states.

Contribution

It develops tensor network techniques tailored for intermediate confinement regimes in nanoplatelets, enabling accurate solutions of high-dimensional Schrödinger equations beyond traditional approximations.

Findings

Successfully calculated ground and excited states of nanoplatelets

Demonstrated tensor networks' applicability to 2D systems

Provided strategies for real-space tensor network use in intermediate confinement

Abstract

In semiconductor nanostructures, optical excitation typically creates bound electron-hole states, such as excitons, trions, and larger complexes. Their relative motion is described by the Wannier equation, which is valid only for spatially extended motion in the Coulomb-dominated, weak-confinement limit. Other small nanostructures, such as quantum dots, are in the confinement-dominated strong confinement regime, where the wavefunction factorizes into independent electron and hole parts. Nanoplatelets are in between the two regimes and require solving an unfactorized higher-dimensional Schr\"odinger equation, which is computationally expensive. This work demonstrates how tensor networks can partially overcome this problem, using CdSe nanoplatelets as an example. The method is also applicable to related two-dimensional systems. As a demonstration, we calculate the excitonic and trionic ground states, as well as several excited states, for nanoplatelets of varying sizes, including their energies and oscillator strengths. More importantly, overall strategies for using tensor networks in real space for systems under intermediate confinement have been developed.