Unique Hierarchical Rotational Dynamics Induces Ultralow Lattice Thermal Conductivity in Cyanide-bridged Framework Materials

[2510.14692] Unique Hierarchical Rotational Dynamics Induces Ultralow Lattice Thermal Conductivity in Cyanide-bridged Framework Materials Skip to main content Search Submit Donate Log in Condensed Matter > Materials Science arXiv:2510.14692 (cond-mat) [Submitted on 16 Oct 2025] Title: Unique Hierarchical Rotational Dynamics Induces Ultralow Lattice Thermal Conductivity in Cyanide-bridged Framework Materials Authors: Zhunyun Tang , Xiaoxia Wang , Jin Li , Chaoyu He , Mingxing Chen , Chao Tang , Tao Ouyang View PDF HTML (experimental) Abstract: The pursuit of materials combining light constituent elements with ultralow lattice thermal conductivity ($\kappa_{\mathrm{L}}$) is crucial to advancing technologies like thermoelectrics and thermal barrier coatings, yet it remains a formidable challenge to date. Herein, we achieve ultralow $\kappa_{\mathrm{L}}$ in lightweight cyanide-bridged framework materials (CFMs) through the rational integration of properties such as the hierarchical vibrations exhibited in superatomic structures and rotational dynamics exhibited in perovskites. Unique hierarchical rotation behavior leads to multiple negative peaks in Grüneisen parameters across a wide frequency range, thereby inducing pronounced negative thermal expansion and strong cubic anharmonicity in CFMs. Meanwhile, the synergistic effect between large four-phonon scattering phase space (induced by phonon quasi-flat bands and wide bandgaps) and strong quartic anharmonicity (associated with rotation modes) leads to giant quartic anharmonic scattering rates in these materials. Consequently, the $\kappa_{\mathrm{L}}$ of these CFMs decreases by one to two orders of magnitude compared to the known perovskites or perovskite-like materials with equivalent average atomic masses. For instance, the Cd(CN)$_{2}$, NaB(CN)$_{4}$, LiIn(CN)$_{4}$, and AgX(CN)$_{4}$ (X = B, Al, Ga, In) exhibit ultralow room-temperature $\kappa_{\mathrm{L}}$ values ranging from 0.35 to 0.81 W/mK. This work not only establishes CFMs as a novel and rich platform for studying extreme phonon anharmonicity, but also provides a new paradigm for achieving ultralow thermal conductivity in lightweight materials via the conscious integration of hierarchical and rotational dynamics. Subjects: Materials Science (cond-mat.mtrl-sci) Cite as: arXiv:2510.14692 [cond-mat.mtrl-sci] (or arXiv:2510.14692v1 [cond-mat.mtrl-sci] for this version) https://doi.org/10.48550/arXiv.2510.14692 Focus to learn more arXiv-issued DOI via DataCite Related DOI : https://doi.org/10.1002/adfm.202526344 Focus to learn more DOI(s) linking to related resources Submission history From: Zhunyun Tang [ view email ] [v1] Thu, 16 Oct 2025 13:58:50 UTC (6,709 KB) Full-text links: Access Paper: View PDF HTML (experimental) TeX Source view license Current browse context: cond-mat.mtrl-sci < prev | next > new | recent | 2025-10 Change to browse by: cond-mat 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? ) IArxiv recommender toggle IArxiv Recommender ( What is IArxiv? ) 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)

Related documents

• Unique Hierarchical Rotational Dynamics Induces Ultralow Lattice Thermal Conductivity in Cyanide-bridged Framework Materials#670404
• One-Pot Synthesis and Electrospinning of Cellulose Derivatives Bearing Pseudo-Peptide Pendants via Ugi Four−Component Reaction for Functional Nanofiber Fabrication#1146298
• Water-Mediated Ligand Dynamics Enable Solution-Phase Self-Assembly of Perovskite Nanocrystals Into 3D Ordered Architectures.#165721
• Switchable Behavior and Applications of Low‐Dimensional Halide Perovskites under External Environmental Stimuli#147397
• Graphene-Scaffolded Ultrathin Perovskite Nanocrystal Films for Amplifying Energy Localization via Dual-Mode Nonhybridizing Quasi-BICs.#995