Exciton Bohr radius of lead halide perovskites for photovoltaic and light-emitting applications

Fuente: arXiv
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Autori principali: Jang, Hyun Myung, Jang, Kyung Yeon, Lee, Song Hee, Park, Jinwoo, Lee, Tae-Woo
Natura: Preprint
Pubblicazione: 2025
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author Jang, Hyun Myung
Jang, Kyung Yeon
Lee, Song Hee
Park, Jinwoo
Lee, Tae-Woo
author_facet Jang, Hyun Myung
Jang, Kyung Yeon
Lee, Song Hee
Park, Jinwoo
Lee, Tae-Woo
contents Exciton Bohr radius (a_B) and exciton binding energy (E_b) of metal halide perovskites are two prime quantities in their applications to both light-emitting diode displays and photovoltaic devices. We develop a reliable theoretical method of simultaneously finding a_B and ε_r^c (dielectric constant) based on the net exciton energy above the bulk band gap. It is estimated that a_B under the dielectric confinement is substantially smaller than a_B in the absence of dielectric confinement: 4.36 nm vs. 5.61 nm in the case of CH3NH3PbBr3. We attribute the enhanced a_B to variations of ε_r^c and the electron-hole correlation energy. We also develop a simple method of finding E_b based on the same net exciton energy. Using this, we attribute the well-known difference in E_b between organic bromide perovskites and iodide counterparts to ε_r^c and explain that iodide perovskites are more suited than bromide counterparts in photovoltaic applications, which require smaller E_b for efficient charge-carriers transport.
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id arxiv_https___arxiv_org_abs_2505_15565
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Exciton Bohr radius of lead halide perovskites for photovoltaic and light-emitting applications
Jang, Hyun Myung
Jang, Kyung Yeon
Lee, Song Hee
Park, Jinwoo
Lee, Tae-Woo
Materials Science
Exciton Bohr radius (a_B) and exciton binding energy (E_b) of metal halide perovskites are two prime quantities in their applications to both light-emitting diode displays and photovoltaic devices. We develop a reliable theoretical method of simultaneously finding a_B and ε_r^c (dielectric constant) based on the net exciton energy above the bulk band gap. It is estimated that a_B under the dielectric confinement is substantially smaller than a_B in the absence of dielectric confinement: 4.36 nm vs. 5.61 nm in the case of CH3NH3PbBr3. We attribute the enhanced a_B to variations of ε_r^c and the electron-hole correlation energy. We also develop a simple method of finding E_b based on the same net exciton energy. Using this, we attribute the well-known difference in E_b between organic bromide perovskites and iodide counterparts to ε_r^c and explain that iodide perovskites are more suited than bromide counterparts in photovoltaic applications, which require smaller E_b for efficient charge-carriers transport.
title Exciton Bohr radius of lead halide perovskites for photovoltaic and light-emitting applications
topic Materials Science
url https://arxiv.org/abs/2505.15565