Wave function forms of interlayer excitons in bilayer transition metal dichalcogenides

Fuente: arXiv
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Main Authors: Tang, Jianju, Wang, Songlei, Hou, Yuhang, Yu, Hongyi
Format: Preprint
Published: 2024
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author Tang, Jianju
Wang, Songlei
Hou, Yuhang
Yu, Hongyi
author_facet Tang, Jianju
Wang, Songlei
Hou, Yuhang
Yu, Hongyi
contents We numerically solve the electron-hole relative wave function of interlayer excitons in bilayer transition metal dichalcogenides, taking into account the screening effects from both the constituent transition metal dichalcogenides layers and the surrounding dielectric environment. We find that the wave function of the 1s ground state is close to the gaussian form, rather than the well-known exponential decay form of the two-dimensional hydrogen model. Meanwhile, the 2s state has an energy $E_{2s}$ significantly higher than $E_{2p}$ of the 2p state, but becomes close to $E_{3d}$ of the 3d state with $E_{2s}-E_{2p} \approx E_{3d}-E_{2p} \approx E_{2p}-E_{1s}$ under a large interlayer separation and weak environmental screening. Under general conditions, the solved 1s, 2p and 3d wave functions can be fit nearly perfectly by simple analytic forms which smoothly cross from gaussian to exponential decay. These analytic forms can facilitate the accurate evaluation of various exciton quantities for device applications.
format Preprint
id arxiv_https___arxiv_org_abs_2410_16717
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Wave function forms of interlayer excitons in bilayer transition metal dichalcogenides
Tang, Jianju
Wang, Songlei
Hou, Yuhang
Yu, Hongyi
Mesoscale and Nanoscale Physics
We numerically solve the electron-hole relative wave function of interlayer excitons in bilayer transition metal dichalcogenides, taking into account the screening effects from both the constituent transition metal dichalcogenides layers and the surrounding dielectric environment. We find that the wave function of the 1s ground state is close to the gaussian form, rather than the well-known exponential decay form of the two-dimensional hydrogen model. Meanwhile, the 2s state has an energy $E_{2s}$ significantly higher than $E_{2p}$ of the 2p state, but becomes close to $E_{3d}$ of the 3d state with $E_{2s}-E_{2p} \approx E_{3d}-E_{2p} \approx E_{2p}-E_{1s}$ under a large interlayer separation and weak environmental screening. Under general conditions, the solved 1s, 2p and 3d wave functions can be fit nearly perfectly by simple analytic forms which smoothly cross from gaussian to exponential decay. These analytic forms can facilitate the accurate evaluation of various exciton quantities for device applications.
title Wave function forms of interlayer excitons in bilayer transition metal dichalcogenides
topic Mesoscale and Nanoscale Physics
url https://arxiv.org/abs/2410.16717