Potential for exciton condensation in a highly conductive amorphous polymer

Schouten, Anna O.; Klevens, Jordan E.; Sager-Smith, LeeAnn M.; Xie, Jiaze; Anderson, John S.; Mazziotti, David A.

doi:10.1103/physrevmaterials.7.045001

Potential for exciton condensation in a highly conductive amorphous polymer

Journal Article · Mon Apr 10 00:00:00 EDT 2023 · Physical Review Materials

DOI:https://doi.org/10.1103/physrevmaterials.7.045001· OSTI ID:2421041

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Univ. of Chicago, IL (United States); OSTI
Univ. of Chicago, IL (United States)

An outstanding challenge in synthesis and theory is to develop molecular materials at ambient conditions that exhibit highly efficient energy transfer. Here, in this study, we demonstrate the potential of a recently synthesized, highly conductive amorphous material—a nickel tetrathiafulvalene-tetrathiolate (NiTTFtt) polymer—to become an exciton condensate—a Bose-Einstein condensate of particle-hole pairs, known as excitons, that supports dissipationless flow of excitation energy. While exciton condensates have recently been realized in ordered materials, we show by advanced electronic structure calculations that this highly correlated phenomenon can potentially be realized in molecularly tailored, amorphous materials. In contrast to the Bechgaard salts that support superconductivity at compressed geometries requiring high pressures, we show that the recently synthesized, amorphous NiTTFtt polymer exhibits the computational signature of exciton condensation at experimentally realizable geometries, occurring at ambient pressures. Results suggest that superfluidity in this system and related systems—including van der Waals structures, molecular metals with extended-TTF dithiolate ligands, and Bechgaard salts—may occur via a nontraditional excitonic mechanism tuneable according to system composition, geometry, size, and charge. This study prompts further experimental investigation of the rational design of molecularly scaled exciton condensates with potential applications to efficient transport in technologically relevant materials.

View Accepted Manuscript (DOE)

Research Organization:: Purdue Univ., West Lafayette, IN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); American Chemical Society (ACS)

Grant/Contract Number:: SC0019215

OSTI ID:: 2421041

Journal Information:: Physical Review Materials, Journal Name: Physical Review Materials Journal Issue: 4 Vol. 7; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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