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In this study, the SOC\u2010driven extraordinary thermoelectric performance in a light 2D material Fe\u2082S\u2082 is demonstrated via first\u2010principles calculations. The abnormally strong SOC, induced by electron correlation through 3\n                    <jats:italic>d<\/jats:italic>\n                    orbitals polarization, significantly renormalizes the band structures, which opens the bandgap via Fe 3\n                    <jats:italic>d<\/jats:italic>\n                    orbitals inversion, exposes the second conduction valley with weak electron\u2010phonon coupling, and aligns the energy of Fe 3\n                    <jats:italic>d<\/jats:italic>\n                    and S 3\n                    <jats:italic>p<\/jats:italic>\n                    orbitals with divergent momentum in valence band. Such topological band renormalization triggers improvement of both\n                    <jats:italic>p<\/jats:italic>\n                    \u2010 and\n                    <jats:italic>n<\/jats:italic>\n                    \u2010type power factors by more than 200%. Combining with the low lattice thermal conductivity caused by lone pair electrons and intense high\u2010order phonon scattering, the peak\n                    <jats:italic>zT<\/jats:italic>\n                    can reach 1.6 and 1.8 for\n                    <jats:italic>p<\/jats:italic>\n                    \u2010 and\n                    <jats:italic>n<\/jats:italic>\n                    \u2010type Fe\u2082S\u2082 at 400 K, respectively. This work unravels the mechanism of SOC\u2010provoked high\n                    <jats:italic>zT<\/jats:italic>\n                    in electron correlation systems, which inspires the development of high\u2010performance thermoelectric materials without heavy and scarce elements.\n                  <\/jats:p>","DOI":"10.1002\/smll.202411244","type":"journal-article","created":{"date-parts":[[2025,1,14]],"date-time":"2025-01-14T01:48:23Z","timestamp":1736819303000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Thermoelectric Properties of a Light Compound Fe\n                    <sub>2<\/sub>\n                    S\n                    <sub>2<\/sub>\n                    : the Role of Electron Correlation Strengthened Spin\u2010Orbital Coupling"],"prefix":"10.1002","volume":"21","author":[{"given":"Xincan","family":"Wang","sequence":"first","affiliation":[{"name":"Center of Quantum Materials and Devices College of Physics Chongqing University  Chongqing 401331 China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Zizhen","family":"Zhou","sequence":"additional","affiliation":[{"name":"Center of Quantum Materials and Devices College of Physics Chongqing University  Chongqing 401331 China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Xiaolong","family":"Yang","sequence":"additional","affiliation":[{"name":"Center of Quantum Materials and Devices College of Physics Chongqing University  Chongqing 401331 China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Guang","family":"Han","sequence":"additional","affiliation":[{"name":"College of Materials Science and Engineering Chongqing University  Chongqing 400044 China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Xu","family":"Lu","sequence":"additional","affiliation":[{"name":"Center of Quantum Materials and Devices College of Physics Chongqing University  Chongqing 401331 China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Guoyu","family":"Wang","sequence":"additional","affiliation":[{"name":"College of Materials Science and Engineering Chongqing University  Chongqing 400044 China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1088-0809","authenticated-orcid":false,"given":"Xiaoyuan","family":"Zhou","sequence":"additional","affiliation":[{"name":"Center of Quantum Materials and Devices College of Physics Chongqing University  Chongqing 401331 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