{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,10]],"date-time":"2026-10-10T15:59:48Z","timestamp":1791647988126,"version":"4.3.4"},"reference-count":80,"publisher":"Wiley","issue":"26","license":[{"start":{"date-parts":[[2024,4,23]],"date-time":"2024-04-23T00:00:00Z","timestamp":1713830400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100012166","name":"National Key Research and Development Program of China","doi-asserted-by":"publisher","award":["2021YFA0718700"],"award-info":[{"award-number":["2021YFA0718700"]}],"id":[{"id":"10.13039\/501100012166","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["92163211"],"award-info":[{"award-number":["92163211"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100013254","name":"National College Students Innovation and Entrepreneurship Training Program","doi-asserted-by":"publisher","award":["202310497006"],"award-info":[{"award-number":["202310497006"]}],"id":[{"id":"10.13039\/501100013254","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["advanced.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Advanced Materials"],"published-print":{"date-parts":[[2024,6]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Topological electronic transition is the very promising strategy for achieving high band degeneracy (<jats:italic>N<\/jats:italic><jats:sub>V<\/jats:sub>) and for optimizing thermoelectric performance. Herein, this work verifies in p\u2010type Mg<jats:sub>3<\/jats:sub>Sb<jats:sub>2\u2212<\/jats:sub><jats:italic><jats:sub>x<\/jats:sub><\/jats:italic>Bi<jats:italic><jats:sub>x<\/jats:sub><\/jats:italic> that topological electronic transition could be the key mechanism responsible for elevating the <jats:italic>N<\/jats:italic><jats:sub>V<\/jats:sub> of valence band edge from 1 to 6, leading to much improved thermoelectric performance. Through comprehensive spectroscopy characterizations and theoretical calculations of electronic structures, the topological electronic transition from trivial semiconductor is unambiguously demonstrated to topological semimetal of Mg<jats:sub>3<\/jats:sub>Sb<jats:sub>2\u2212<\/jats:sub><jats:italic><jats:sub>x<\/jats:sub><\/jats:italic>Bi<jats:italic><jats:sub>x<\/jats:sub><\/jats:italic> with increasing the Bi content, due to the strong spin\u2013orbit coupling of Bi and the band inversion. The distinct evolution of Fermi surface configuration and the multivalley valence band edge with <jats:italic>N<\/jats:italic><jats:sub>V<\/jats:sub> of 6 are discovered in the Bi\u2010rich compositions, while a peculiar two\u2010step band inversion is revealed for the first time in the end compound Mg<jats:sub>3<\/jats:sub>Bi<jats:sub>2<\/jats:sub>. As a result, the optimal p\u2010type Mg<jats:sub>3<\/jats:sub>Sb<jats:sub>0.5<\/jats:sub>Bi<jats:sub>1.5<\/jats:sub> simultaneously obtains a positive bandgap and high <jats:italic>N<\/jats:italic><jats:sub>V<\/jats:sub> of 6, and thus acquires the largest thermoelectric power factor of 3.54 and 6.93 \u00b5W cm<jats:sup>\u22121<\/jats:sup> K<jats:sup>\u22122<\/jats:sup> at 300 and 575 K, respectively, outperforming the values in other compositions. This work provides important guidance on improving thermoelectric performance of p\u2010type Mg<jats:sub>3<\/jats:sub>Sb<jats:sub>2\u2212<\/jats:sub><jats:italic><jats:sub>x<\/jats:sub><\/jats:italic>Bi<jats:italic><jats:sub>x<\/jats:sub><\/jats:italic> utilizing the topological electronic transition.<\/jats:p>","DOI":"10.1002\/adma.202400845","type":"journal-article","created":{"date-parts":[[2024,4,23]],"date-time":"2024-04-23T04:05:11Z","timestamp":1713845111000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":36,"title":["Topological Electronic Transition Contributing to Improved Thermoelectric Performance in p\u2010Type Mg<sub>3<\/sub>Sb<sub>2\u2212<\/sub><i><sub>x<\/sub><\/i>Bi<i><sub>x<\/sub><\/i> Solid Solutions"],"prefix":"10.1002","volume":"36","author":[{"given":"Sen","family":"Xie","sequence":"first","affiliation":[{"name":"State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology  Wuhan 430070 China"},{"name":"International School of Materials Science and Engineering Wuhan University of Technology  Wuhan 430070 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaolin","family":"Wan","sequence":"additional","affiliation":[{"name":"Institute for Structure and Function &amp; Department of Physics Chongqing University  Chongqing 400044 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yasong","family":"Wu","sequence":"additional","affiliation":[{"name":"Materials Genome Institute Shanghai University Shanghai 200444 China"},{"name":"Zhejiang Laboratory Hangzhou 311100 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chunxia","family":"Li","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology  Wuhan 430070 China"},{"name":"International School of Materials Science and Engineering Wuhan University of Technology  Wuhan 430070 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fan","family":"Yan","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology  Wuhan 430070 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yujie","family":"Ouyang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology  Wuhan 430070 China"},{"name":"International School of Materials Science and Engineering Wuhan University of Technology  Wuhan 430070 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Haoran","family":"Ge","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology  Wuhan 430070 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xianda","family":"Li","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology  Wuhan 430070 China"},{"name":"International School of Materials Science and Engineering Wuhan University of Technology  Wuhan 430070 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yong","family":"Liu","sequence":"additional","affiliation":[{"name":"School of Physics and Technology and The Key Laboratory of Artificial Micro\/Nano Structures of Ministry of Education Wuhan University  Wuhan 430072 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rui","family":"Wang","sequence":"additional","affiliation":[{"name":"Institute for Structure and Function &amp; Department of Physics Chongqing University  Chongqing 400044 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Michael Y.","family":"Toriyama","sequence":"additional","affiliation":[{"name":"Department of Materials Science and Engineering Northwestern University  Evanston IL 60208 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"G. Jeffrey","family":"Snyder","sequence":"additional","affiliation":[{"name":"Department of Materials Science and Engineering Northwestern University  Evanston IL 60208 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jiong","family":"Yang","sequence":"additional","affiliation":[{"name":"Materials Genome Institute Shanghai University Shanghai 200444 China"},{"name":"Zhejiang Laboratory Hangzhou 311100 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Qingjie","family":"Zhang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology  Wuhan 430070 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wei","family":"Liu","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology  Wuhan 430070 China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0715-5529","authenticated-orcid":false,"given":"Xinfeng","family":"Tang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology  Wuhan 430070 China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2024,4,23]]},"reference":[{"key":"e_1_2_9_1_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.aak9997"},{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.1038\/nnano.2008.417"},{"key":"e_1_2_9_3_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41893-022-01003-6"},{"key":"e_1_2_9_4_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41565-023-01457-5"},{"key":"e_1_2_9_5_1","doi-asserted-by":"publisher","DOI":"10.1002\/idm2.12009"},{"key":"e_1_2_9_6_1","first-page":"1","volume-title":"Thermoelectric Materials and Devices","author":"Chen L.","year":"2021"},{"key":"e_1_2_9_7_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsnano.1c01039"},{"key":"e_1_2_9_8_1","doi-asserted-by":"publisher","DOI":"10.1021\/nl100804a"},{"key":"e_1_2_9_9_1","doi-asserted-by":"publisher","DOI":"10.1002\/aenm.201500411"},{"key":"e_1_2_9_10_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.1156446"},{"key":"e_1_2_9_11_1","doi-asserted-by":"publisher","DOI":"10.1038\/nature09996"},{"key":"e_1_2_9_12_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja111199y"},{"key":"e_1_2_9_13_1","doi-asserted-by":"publisher","DOI":"10.1038\/nmat4430"},{"key":"e_1_2_9_14_1","doi-asserted-by":"publisher","DOI":"10.1038\/nature23667"},{"key":"e_1_2_9_15_1","doi-asserted-by":"publisher","DOI":"10.1038\/nnano.2016.182"},{"key":"e_1_2_9_16_1","doi-asserted-by":"publisher","DOI":"10.1038\/ncomms9144"},{"key":"e_1_2_9_17_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja206491j"},{"key":"e_1_2_9_18_1","doi-asserted-by":"publisher","DOI":"10.1093\/nsr\/nwx011"},{"key":"e_1_2_9_19_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.108.166601"},{"key":"e_1_2_9_20_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1424388112"},{"key":"e_1_2_9_21_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.aaq1479"},{"key":"e_1_2_9_22_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.abi8668"},{"key":"e_1_2_9_23_1","doi-asserted-by":"publisher","DOI":"10.1038\/nmat3273"},{"key":"e_1_2_9_24_1","doi-asserted-by":"publisher","DOI":"10.1002\/adma.202003730"},{"key":"e_1_2_9_25_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-023-40648-5"},{"key":"e_1_2_9_26_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-021-25722-0"},{"key":"e_1_2_9_27_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.aax7792"},{"key":"e_1_2_9_28_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmst.2023.05.068"},{"key":"e_1_2_9_29_1","doi-asserted-by":"publisher","DOI":"10.1002\/aenm.202201086"},{"key":"e_1_2_9_30_1","doi-asserted-by":"publisher","DOI":"10.1002\/adma.201705617"},{"key":"e_1_2_9_31_1","doi-asserted-by":"publisher","DOI":"10.1088\/0508-3443\/5\/11\/303"},{"key":"e_1_2_9_32_1","doi-asserted-by":"publisher","DOI":"10.1039\/C9EE02044F"},{"key":"e_1_2_9_33_1","doi-asserted-by":"publisher","DOI":"10.1038\/ncomms13901"},{"key":"e_1_2_9_34_1","doi-asserted-by":"publisher","DOI":"10.1002\/adma.201903387"},{"key":"e_1_2_9_35_1","doi-asserted-by":"publisher","DOI":"10.34133\/2020\/4361703"},{"key":"e_1_2_9_36_1","volume":"2020","author":"Li A.","year":"2020","journal-title":"Research"},{"key":"e_1_2_9_37_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-019-0215-y"},{"key":"e_1_2_9_38_1","doi-asserted-by":"publisher","DOI":"10.1002\/adfm.202300154"},{"key":"e_1_2_9_39_1","doi-asserted-by":"publisher","DOI":"10.1039\/D0EE00838A"},{"key":"e_1_2_9_40_1","doi-asserted-by":"publisher","DOI":"10.1002\/advs.201800897"},{"key":"e_1_2_9_41_1","doi-asserted-by":"publisher","DOI":"10.1088\/0022-3727\/39\/24\/035"},{"key":"e_1_2_9_42_1","doi-asserted-by":"publisher","DOI":"10.1088\/2053-1591\/2\/5\/055903"},{"key":"e_1_2_9_43_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.joule.2020.07.021"},{"key":"e_1_2_9_44_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-020-00378-4"},{"key":"e_1_2_9_45_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.mattod.2017.02.007"},{"key":"e_1_2_9_46_1","doi-asserted-by":"publisher","DOI":"10.1002\/adfm.201900677"},{"key":"e_1_2_9_47_1","doi-asserted-by":"publisher","DOI":"10.1201\/9781315197029-3"},{"key":"e_1_2_9_48_1","doi-asserted-by":"publisher","DOI":"10.1039\/C9TA00288J"},{"key":"e_1_2_9_49_1","volume":"2022","author":"Hu J.","year":"2022","journal-title":"Research"},{"key":"e_1_2_9_50_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.103.125405"},{"key":"e_1_2_9_51_1","doi-asserted-by":"publisher","DOI":"10.1002\/adma.201603955"},{"key":"e_1_2_9_52_1","doi-asserted-by":"publisher","DOI":"10.1088\/0256-307X\/36\/11\/117303"},{"key":"e_1_2_9_53_1","doi-asserted-by":"publisher","DOI":"10.1002\/pssr.202200250"},{"key":"e_1_2_9_54_1","doi-asserted-by":"publisher","DOI":"10.1038\/nmat2090"},{"key":"e_1_2_9_55_1","doi-asserted-by":"publisher","DOI":"10.1039\/C4TA02386B"},{"key":"e_1_2_9_56_1","doi-asserted-by":"publisher","DOI":"10.1039\/C7MH00865A"},{"key":"e_1_2_9_57_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.5107484"},{"key":"e_1_2_9_58_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.82.045122"},{"key":"e_1_2_9_59_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.85.195320"},{"key":"e_1_2_9_60_1","volume":"4","author":"Toriyama M. Y.","year":"2023","journal-title":"Cell Rep."},{"key":"e_1_2_9_61_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.1173034"},{"key":"e_1_2_9_62_1","doi-asserted-by":"publisher","DOI":"10.1038\/nphys1270"},{"key":"e_1_2_9_63_1","doi-asserted-by":"publisher","DOI":"10.1039\/c3ra40457a"},{"key":"e_1_2_9_64_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-018-06980-x"},{"key":"e_1_2_9_65_1","doi-asserted-by":"publisher","DOI":"10.1007\/s11664-012-2417-7"},{"key":"e_1_2_9_66_1","doi-asserted-by":"publisher","DOI":"10.1039\/C5TA02155C"},{"key":"e_1_2_9_67_1","unstructured":"F.Lv Preparation and Properties of Mg3Sb2\u2212xBix(0 \u2264x\u2264 1.2) Thermoelectric Materials by Solid State Reaction Combined with Spark Plasms Sintering 2018."},{"key":"e_1_2_9_68_1","doi-asserted-by":"publisher","DOI":"10.1002\/cnma.202200400"},{"key":"e_1_2_9_69_1","doi-asserted-by":"publisher","DOI":"10.1088\/1674-1056\/ab84cd"},{"key":"e_1_2_9_70_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsami.3c07801"},{"key":"e_1_2_9_71_1","doi-asserted-by":"publisher","DOI":"10.3390\/nano12244429"},{"key":"e_1_2_9_72_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsami.3c12290"},{"key":"e_1_2_9_73_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.59.1758"},{"key":"e_1_2_9_74_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.50.17953"},{"key":"e_1_2_9_75_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.54.11169"},{"key":"e_1_2_9_76_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.100.136406"},{"key":"e_1_2_9_77_1","doi-asserted-by":"publisher","DOI":"10.1016\/S1093-3263(99)00028-5"},{"key":"e_1_2_9_78_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2014.05.003"},{"key":"e_1_2_9_79_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2017.09.033"},{"key":"e_1_2_9_80_1","doi-asserted-by":"publisher","DOI":"10.1088\/0305-4608\/15\/4\/009"}],"container-title":["Advanced Materials"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/advanced.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/adma.202400845","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,6]],"date-time":"2025-10-06T13:14:18Z","timestamp":1759756458000},"score":1,"resource":{"primary":{"URL":"https:\/\/advanced.onlinelibrary.wiley.com\/doi\/10.1002\/adma.202400845"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,4,23]]},"references-count":80,"journal-issue":{"issue":"26","published-print":{"date-parts":[[2024,6]]}},"alternative-id":["10.1002\/adma.202400845"],"URL":"https:\/\/doi.org\/10.1002\/adma.202400845","archive":["Portico"],"relation":{},"ISSN":["0935-9648","1521-4095"],"issn-type":[{"value":"0935-9648","type":"print"},{"value":"1521-4095","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,4,23]]},"assertion":[{"value":"2024-01-17","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2024-04-23","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"2400845"}}