Excitonic Landscape of Monolayer Transition-Metal Dichalcogenides: Experimental Discrepancies, Theoretical Advances, and Strain Dependence

[2601.08585] Excitonic Landscape of Monolayer Transition-Metal Dichalcogenides: Experimental Discrepancies, Theoretical Advances, and Strain Dependence Skip to main content Search Submit Donate Log in Physics > Optics arXiv:2601.08585 (physics) [Submitted on 13 Jan 2026 ( v1 ), last revised 28 Aug 2026 (this version, v2)] Title: Excitonic Landscape of Monolayer Transition-Metal Dichalcogenides: Experimental Discrepancies, Theoretical Advances, and Strain Dependence Authors: Cem Sevik , Purushothaman Manivannan , Fulvio Paleari , Milorad V. Milosevic View PDF HTML (experimental) Abstract: Excitons in monolayer transition-metal dichalcogenides (TMDs) have garnered significant attention because of their large binding energies due to weakly screened Coulomb interaction, and direct bandgap at the K/K$^\prime$ point in the hexagonal Brillouin zone featuring spin-polarised bands due to spin-orbit coupling and lack of inversion symmetry. This makes them prospective for next-generation optoelectronic and quantum devices. However, despite the intense research activity, the reported values for exciton binding energies, quasiparticle gaps, and spectral features exhibit substantial variation across both experimental and theoretical studies. In this article, we present a comprehensive and critical assessment of the current understanding of excitonic properties in single-layer TMDs, integrating results from the angle-resolved photoemission spectroscopy (ARPES), photoluminescence (PL) measurements, and other experimental techniques with first-principles theoretical insights. Special emphasis is placed on the comparison and reconciliation of discrepancies observed across different experimental setups and sample qualities. Furthermore, we highlight our state-of-the-art GW-BSE calculations, which include both equilibrium and laterally strained systems, to systematically analyse the behaviour of direct and indirect excitons. By evaluating the effect of strain as a tunable control variable, we demonstrate its potential to engineer excitonic properties, supported by cross-validation against prior theoretical predictions and experimental findings. In doing so, we clarify the sources of discrepancies in the literature and offer a unified perspective on excited-state engineering strategies in two-dimensional TMDs. Subjects: Optics (physics.optics) ; Materials Science (cond-mat.mtrl-sci); Computational Physics (physics.comp-ph) Cite as: arXiv:2601.08585 [physics.optics] (or arXiv:2601.08585v2 [physics.optics] for this version) https://doi.org/10.48550/arXiv.2601.08585 Focus to learn more arXiv-issued DOI via DataCite Submission history From: Cem Sevik [ view email ] [v1] Tue, 13 Jan 2026 14:06:31 UTC (7,117 KB) [v2] Fri, 28 Aug 2026 10:33:33 UTC (7,126 KB) Full-text links: Access Paper: View PDF HTML (experimental) TeX Source view license Current browse context: physics.optics < prev | next > new | recent | 2026-01 Change to browse by: cond-mat cond-mat.mtrl-sci physics physics.comp-ph References & Citations SciX Google Scholar Semantic Scholar export BibTeX citation Bookmark Bibliographic Tools Bibliographic and Citation Tools Bibliographic Explorer Toggle Bibliographic Explorer ( What is the Explorer? ) Connected Papers Toggle Connected Papers ( What is Connected Papers? ) Litmaps Toggle Litmaps ( What is Litmaps? ) scite.ai Toggle scite Smart Citations ( What are Smart Citations? ) Code, Data, Media Code, Data and Media Associated with this Article alphaXiv Toggle alphaXiv ( What is alphaXiv? ) Links to Code Toggle CatalyzeX Code Finder for Papers ( What is CatalyzeX? ) DagsHub Toggle DagsHub ( What is DagsHub? ) GotitPub Toggle Gotit.pub ( What is GotitPub? ) Huggingface Toggle Hugging Face ( What is Huggingface? ) ScienceCast Toggle ScienceCast ( What is ScienceCast? ) Demos Demos Replicate Toggle Replicate ( What is Replicate? ) Spaces Toggle Hugging Face Spaces ( What is Spaces? ) Spaces Toggle TXYZ.AI ( What is TXYZ.AI? ) Related Papers Recommenders and Search Tools Link to Influence Flower Influence Flower ( What are Influence Flowers? ) Core recommender toggle CORE Recommender ( What is CORE? ) Author Venue Institution Topic About arXivLabs arXivLabs: experimental projects with community collaborators arXivLabs is a framework that allows collaborators to develop and share new arXiv features directly on our website. Both individuals and organizations that work with arXivLabs have embraced and accepted our values of openness, community, excellence, and user data privacy. arXiv is committed to these values and only works with partners that adhere to them. Have an idea for a project that will add value for arXiv's community? Learn more about arXivLabs . Which authors of this paper are endorsers? | Disable MathJax ( What is MathJax? ) We gratefully acknowledge support from our major funders , member institutions , and all contributors. About · Help · Contact · Subscribe · Copyright · Privacy · Accessibility · Operational Status (opens in new tab) Major funding support from (opens in new tab) (opens in new tab) (opens in new tab)

Related documents

• Excitonic Landscape of Monolayer Transition-Metal Dichalcogenides: Experimental Discrepancies, Theoretical Advances, and Strain Dependence#682554
• Contact engineering of 2D transition metal dichalcogenide semiconductors#377554
• Native and engineered defects in transition metal dichalcogenides towards atomic-scale quantum systems#190043
• Electronics and optoelectronics of two-dimensional transition metal dichalcogenides#6845
• Lateral heterostructures, alloys, and the Kirkendall effect in transition metal dichalcogenide monolayers / Kai Mehlich ; Gutachter: Carsten Busse#1078685