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Accelerated Discovery of Topological Conductors for Nanoscale Interconnects
Stockholm University, Nordic Institute for Theoretical Physics (Nordita). University of Connecticut, USA.ORCID iD: 0000-0003-4265-1824
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Number of Authors: 82026 (English)In: Advanced Science, E-ISSN 2198-3844, Vol. 13, no 10, article id e20535Article in journal (Refereed) Published
Abstract [en]

The sharp increase in resistivity of copper interconnects at ultra-scaled dimensions threatens the continued miniaturization of integrated circuits. Topological semimetals (TSMs) with gapless surface states (Fermi arcs) provide conduction channels resistant to localization. Here we develop an efficient computational framework to quantify 0 K surface-state transmission in nanowires derived from Wannier tight-binding models of topological conductors that faithfully reproduce relativistic density functional theory results. Sparse matrix techniques enable scalable simulations incorporating disorder and surface roughness, allowing systematic materials screening across sizes, chemical potentials, and transport directions. A dataset of 3000 surface transmission values reveals TiS, ZrB2, MoC, WC, and nitrides AN where A = (Mo, Ta, W) as candidates with conductance matching or exceeding copper and benchmark TSMs NbAs and NbP. This dataset further supports machine learning models for rapid interconnect compound identification. Our results highlight the promise of topological conductors in overcoming copper's scaling limits and provide a roadmap for data-driven discovery of next-generation interconnects.

Place, publisher, year, edition, pages
2026. Vol. 13, no 10, article id e20535
Keywords [en]
DFT calculations, interconnects, machine learning, nanowire transport, topological conductors
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:su:diva-252593DOI: 10.1002/advs.202520535ISI: 001661127900001PubMedID: 41532606Scopus ID: 2-s2.0-105027541706OAI: oai:DiVA.org:su-252593DiVA, id: diva2:2039253
Available from: 2026-02-17 Created: 2026-02-17 Last updated: 2026-03-26Bibliographically approved

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Tyner, Alexander C.

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Citation style
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