Direct observation of the exciton polaron by serial femtosecond crystallography on single CsPbBr$_3$ quantum dots

Fuente: arXiv
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Main Authors: Shen, Zhou, Samoli, Margarita, Erdem, Onur, Bielecki, Johan, Samanta, Amit Kumar, E, Juncheng, Estillore, Armando, Kim, Chan, Kim, Yoonhee, Koliyadu, Jayanath, Letrun, Romain, Locardi, Federico, Lübke, Jannik, Mall, Abhishek, Melo, Diogo, Mills, Grant, Rafie-Zinedine, Safi, Round, Adam, Sato, Tokushi, de Wijn, Raphael, Wollweber, Tamme, Worbs, Lena, Zhuang, Yulong, Mancuso, Adrian P., Bean, Richard, Chapman, Henry N., Küpper, Jochen, Infante, Ivan, Lange, Holger, Hens, Zeger, Ayyer, Kartik
Format: Preprint
Published: 2025
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author Shen, Zhou
Samoli, Margarita
Erdem, Onur
Bielecki, Johan
Samanta, Amit Kumar
E, Juncheng
Estillore, Armando
Kim, Chan
Kim, Yoonhee
Koliyadu, Jayanath
Letrun, Romain
Locardi, Federico
Lübke, Jannik
Mall, Abhishek
Melo, Diogo
Mills, Grant
Rafie-Zinedine, Safi
Round, Adam
Sato, Tokushi
de Wijn, Raphael
Wollweber, Tamme
Worbs, Lena
Zhuang, Yulong
Mancuso, Adrian P.
Bean, Richard
Chapman, Henry N.
Küpper, Jochen
Infante, Ivan
Lange, Holger
Hens, Zeger
Ayyer, Kartik
author_facet Shen, Zhou
Samoli, Margarita
Erdem, Onur
Bielecki, Johan
Samanta, Amit Kumar
E, Juncheng
Estillore, Armando
Kim, Chan
Kim, Yoonhee
Koliyadu, Jayanath
Letrun, Romain
Locardi, Federico
Lübke, Jannik
Mall, Abhishek
Melo, Diogo
Mills, Grant
Rafie-Zinedine, Safi
Round, Adam
Sato, Tokushi
de Wijn, Raphael
Wollweber, Tamme
Worbs, Lena
Zhuang, Yulong
Mancuso, Adrian P.
Bean, Richard
Chapman, Henry N.
Küpper, Jochen
Infante, Ivan
Lange, Holger
Hens, Zeger
Ayyer, Kartik
contents The outstanding opto-electronic properties of lead halide perovskites have been related to the formation of polarons. Nevertheless, the observation of the atomistic deformation brought about by one electron-hole pair in these materials has remained elusive. Here, we measure the diffraction patterns of single CsPbBr$_3$ quantum dots (QDs) with and without resonant excitation in the single exciton limit using serial femtosecond crystallography (SFX). By reconstructing the 3D differential diffraction pattern, we observe small shifts of the Bragg peaks indicative of a crystal-wide deformation field. Building on DFT calculations, we show that these shifts are consistent with the lattice distortion induced by a delocalized electron and a localized hole, forming a mixed large/small exciton polaron. This result creates a clear picture of the polaronic deformation in CsPbBr$_3$ QDs, highlights the exceptional sensitivity of SFX to lattice distortions in few-nanometer crystallites, and establishes an experimental platform for future studies of electron-lattice interactions.
format Preprint
id arxiv_https___arxiv_org_abs_2502_02343
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Direct observation of the exciton polaron by serial femtosecond crystallography on single CsPbBr$_3$ quantum dots
Shen, Zhou
Samoli, Margarita
Erdem, Onur
Bielecki, Johan
Samanta, Amit Kumar
E, Juncheng
Estillore, Armando
Kim, Chan
Kim, Yoonhee
Koliyadu, Jayanath
Letrun, Romain
Locardi, Federico
Lübke, Jannik
Mall, Abhishek
Melo, Diogo
Mills, Grant
Rafie-Zinedine, Safi
Round, Adam
Sato, Tokushi
de Wijn, Raphael
Wollweber, Tamme
Worbs, Lena
Zhuang, Yulong
Mancuso, Adrian P.
Bean, Richard
Chapman, Henry N.
Küpper, Jochen
Infante, Ivan
Lange, Holger
Hens, Zeger
Ayyer, Kartik
Materials Science
Mesoscale and Nanoscale Physics
Data Analysis, Statistics and Probability
The outstanding opto-electronic properties of lead halide perovskites have been related to the formation of polarons. Nevertheless, the observation of the atomistic deformation brought about by one electron-hole pair in these materials has remained elusive. Here, we measure the diffraction patterns of single CsPbBr$_3$ quantum dots (QDs) with and without resonant excitation in the single exciton limit using serial femtosecond crystallography (SFX). By reconstructing the 3D differential diffraction pattern, we observe small shifts of the Bragg peaks indicative of a crystal-wide deformation field. Building on DFT calculations, we show that these shifts are consistent with the lattice distortion induced by a delocalized electron and a localized hole, forming a mixed large/small exciton polaron. This result creates a clear picture of the polaronic deformation in CsPbBr$_3$ QDs, highlights the exceptional sensitivity of SFX to lattice distortions in few-nanometer crystallites, and establishes an experimental platform for future studies of electron-lattice interactions.
title Direct observation of the exciton polaron by serial femtosecond crystallography on single CsPbBr$_3$ quantum dots
topic Materials Science
Mesoscale and Nanoscale Physics
Data Analysis, Statistics and Probability
url https://arxiv.org/abs/2502.02343