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Main Authors:	Kaur, Maninder, Sandino, Nicolas T., Terry, Jason P., Ghafariasl, Mahdi, Abate, Yohannes
Format:	Preprint
Published:	2025
Subjects:	Materials Science
Online Access:	https://arxiv.org/abs/2511.10600
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author	Kaur, Maninder Sandino, Nicolas T. Terry, Jason P. Ghafariasl, Mahdi Abate, Yohannes
author_facet	Kaur, Maninder Sandino, Nicolas T. Terry, Jason P. Ghafariasl, Mahdi Abate, Yohannes
contents	Two-dimensional (2D) in-plane heterostructures including compositionally graded alloys and lateral heterostructures with defined interfaces display rich optoelectronic properties and offer versatile platforms to explore one-dimensional interface physics and many-body interaction effects. Graded $\mathrm{Mo}_x\mathrm{W}_{1-x}\mathrm{S}_2$ alloys show smooth spatial variations in composition and strain that continuously tune excitonic emission, while $\mathrm{MoS}_2$--$\mathrm{WS}_2$ lateral heterostructures contain atomically sharp interfaces supporting one-dimensional excitonic phenomena. These single-layer systems combine tunable optical and electronic properties with potential for stable, high-performance optoelectronic devices. Hyperspectral and nano-resolved photoluminescence (PL) imaging enable spatial mapping of optical features along with local variations in composition, strain, and defects, but manual interpretation of such large datasets is slow and subjective. Here, we introduce a fast and scalable unsupervised machine-learning (ML) framework to extract quantitative and interpretable information from hyperspectral PL datasets of graded $\mathrm{Mo}_x\mathrm{W}_{1-x}\mathrm{S}_2$ alloys and $\mathrm{MoS}_2$--$\mathrm{WS}_2$ heterostructures. Combining principal-component analysis (PCA), t-distributed stochastic neighbor embedding (t-SNE), and density-based spatial clustering (DBSCAN), we uncover spectrally distinct domains associated with composition, strain, and defect variations. Decomposition of representative spectra reveals multiple emission species, including band-edge excitons and defect-related transitions, demonstrating that ML-driven analysis provides a robust and automated route to interpret rich optical properties of 2D materials.
format	Preprint
id	arxiv_https___arxiv_org_abs_2511_10600
institution	arXiv
publishDate	2025
record_format	arxiv
spellingShingle	Excitonic Landscapes in Monolayer Lateral Heterostructures Revealed by Unsupervised Machine Learning Kaur, Maninder Sandino, Nicolas T. Terry, Jason P. Ghafariasl, Mahdi Abate, Yohannes Materials Science Two-dimensional (2D) in-plane heterostructures including compositionally graded alloys and lateral heterostructures with defined interfaces display rich optoelectronic properties and offer versatile platforms to explore one-dimensional interface physics and many-body interaction effects. Graded $\mathrm{Mo}_x\mathrm{W}_{1-x}\mathrm{S}_2$ alloys show smooth spatial variations in composition and strain that continuously tune excitonic emission, while $\mathrm{MoS}_2$--$\mathrm{WS}_2$ lateral heterostructures contain atomically sharp interfaces supporting one-dimensional excitonic phenomena. These single-layer systems combine tunable optical and electronic properties with potential for stable, high-performance optoelectronic devices. Hyperspectral and nano-resolved photoluminescence (PL) imaging enable spatial mapping of optical features along with local variations in composition, strain, and defects, but manual interpretation of such large datasets is slow and subjective. Here, we introduce a fast and scalable unsupervised machine-learning (ML) framework to extract quantitative and interpretable information from hyperspectral PL datasets of graded $\mathrm{Mo}_x\mathrm{W}_{1-x}\mathrm{S}_2$ alloys and $\mathrm{MoS}_2$--$\mathrm{WS}_2$ heterostructures. Combining principal-component analysis (PCA), t-distributed stochastic neighbor embedding (t-SNE), and density-based spatial clustering (DBSCAN), we uncover spectrally distinct domains associated with composition, strain, and defect variations. Decomposition of representative spectra reveals multiple emission species, including band-edge excitons and defect-related transitions, demonstrating that ML-driven analysis provides a robust and automated route to interpret rich optical properties of 2D materials.
title	Excitonic Landscapes in Monolayer Lateral Heterostructures Revealed by Unsupervised Machine Learning
topic	Materials Science
url	https://arxiv.org/abs/2511.10600

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