{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,1]],"date-time":"2025-12-01T14:54:59Z","timestamp":1764600899573,"version":"3.46.0"},"reference-count":35,"publisher":"Wiley","issue":"30","license":[{"start":{"date-parts":[[2025,5,29]],"date-time":"2025-05-29T00:00:00Z","timestamp":1748476800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22193043"],"award-info":[{"award-number":["22193043"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Angew Chem Int Ed"],"published-print":{"date-parts":[[2025,7,21]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    Negative thermal expansion (NTE) materials exhibit the counterintuitive property of volume contraction upon heating, which is critical for precision engineering applications. While significant progress has been made in NTE material discovery and mechanism understanding, developing cost\u2010effective systems with strong NTE effects remains challenging. Here we report that an economical phosphate material, KZn(PO\n                    <jats:sub>3<\/jats:sub>\n                    )\n                    <jats:sub>3<\/jats:sub>\n                    , which demonstrates a record\u2010breaking volumetric contraction (\u0394\n                    <jats:italic>V<\/jats:italic>\n                    \/\n                    <jats:italic>V<\/jats:italic>\n                    \u00a0= \u221211.49%) during its low\u2010temperature to high\u2010temperature phase transition. This exceptional NTE behavior originates from an unprecedented topological phase transition involving structural reorganization from infinite (PO\n                    <jats:sub>4<\/jats:sub>\n                    )\n                    <jats:sub>\u221e<\/jats:sub>\n                    \u2010chains (\n                    <jats:italic>C<\/jats:italic>\n                    <jats:sub>\u221e<\/jats:sub>\n                    symmetry) to discrete P\n                    <jats:sub>3<\/jats:sub>\n                    O\n                    <jats:sub>9<\/jats:sub>\n                    \u2010rings (\n                    <jats:italic>C<\/jats:italic>\n                    <jats:sub>3<\/jats:sub>\n                    symmetry). The variable\u2010cell nudged elastic band, ab initio molecular dynamics, and self\u2010consistent phonon calculations reveal a threefold mechanism: (1) reduced K\u2013K distance minimize electrostatic repulsion, (2) covalent bond rearrangement enables the chain\u2010to\u2010ring transformation, and (3) pronounced vibrational modes of O1 atoms destabilize the anionic chains, promoting their cleavage. Concurrently, these cooperative effects drive the observed giant NTE, while the resulting hexagonal\u2010closed\u2010packed (\n                    <jats:italic>hcp<\/jats:italic>\n                    ) K\n                    <jats:sup>+<\/jats:sup>\n                    sublattice further enhances structural contraction.\n                  <\/jats:p>","DOI":"10.1002\/anie.202507107","type":"journal-article","created":{"date-parts":[[2025,5,15]],"date-time":"2025-05-15T09:30:54Z","timestamp":1747301454000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Giant Negative Thermal Expansion Induced by Topological Phase Transition in a Potassium Zinc Phosphate Material"],"prefix":"10.1002","volume":"64","author":[{"given":"Xin","family":"Liu","sequence":"first","affiliation":[{"name":"College of Chemistry Beijing Normal University  Beijing 100875 P.R. China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yi\u2010Chang","family":"Yang","sequence":"additional","affiliation":[{"name":"College of Chemistry Beijing Normal University  Beijing 100875 P.R. China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Qian\u2010Qian","family":"Liu","sequence":"additional","affiliation":[{"name":"College of Chemistry Beijing Normal University  Beijing 100875 P.R. China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Shuang","family":"Zhao","sequence":"additional","affiliation":[{"name":"Center for Advanced Materials Research Advanced Institute of Natural Sciences Beijing Normal University  Zhuhai 519087 P.R. China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tong","family":"Yu","sequence":"additional","affiliation":[{"name":"College of Chemistry Beijing Normal University  Beijing 100875 P.R. China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Li\u2010Ming","family":"Wu","sequence":"additional","affiliation":[{"name":"College of Chemistry Beijing Normal University  Beijing 100875 P.R. China"},{"name":"Center for Advanced Materials Research Advanced Institute of Natural Sciences Beijing Normal University  Zhuhai 519087 P.R. China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3693-4193","authenticated-orcid":false,"given":"Ling","family":"Chen","sequence":"additional","affiliation":[{"name":"College of Chemistry Beijing Normal University  Beijing 100875 P.R. China"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2025,5,29]]},"reference":[{"key":"e_1_2_6_1_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.aav7304"},{"key":"e_1_2_6_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.pmatsci.2021.100835"},{"key":"e_1_2_6_3_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-023-40074-7"},{"key":"e_1_2_6_4_1","doi-asserted-by":"publisher","DOI":"10.1002\/adma.202208562"},{"key":"e_1_2_6_5_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.272.5258.90"},{"key":"e_1_2_6_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.nanoen.2020.104822"},{"key":"e_1_2_6_7_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.8b00845"},{"key":"e_1_2_6_8_1","doi-asserted-by":"publisher","DOI":"10.1002\/adfm.202404629"},{"key":"e_1_2_6_9_1","doi-asserted-by":"publisher","DOI":"10.1002\/adfm.201904669"},{"key":"e_1_2_6_10_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.112.045505"},{"key":"e_1_2_6_11_1","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.aay2748"},{"key":"e_1_2_6_12_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.6b02370"},{"key":"e_1_2_6_13_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41578-019-0160-x"},{"key":"e_1_2_6_14_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200701246"},{"key":"e_1_2_6_15_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja060916r"},{"key":"e_1_2_6_16_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja992569"},{"key":"e_1_2_6_17_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.120.265501"},{"key":"e_1_2_6_18_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201702955"},{"key":"e_1_2_6_19_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-018-06850-6"},{"key":"e_1_2_6_20_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.1c00756"},{"key":"e_1_2_6_21_1","doi-asserted-by":"publisher","DOI":"10.1039\/C4CS00461B"},{"key":"e_1_2_6_22_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41535-021-00348-z"},{"key":"e_1_2_6_23_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.cgd.1c00051"},{"key":"e_1_2_6_24_1","first-page":"273","volume":"89","author":"Durif A.","year":"1996","journal-title":"Bull. 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