{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,18]],"date-time":"2026-07-18T01:13:15Z","timestamp":1784337195135,"version":"3.55.0"},"reference-count":62,"publisher":"American Association for the Advancement of Science (AAAS)","content-domain":{"domain":["spj.science.org"],"crossmark-restriction":true},"short-container-title":["Research"],"published-print":{"date-parts":[[2023,1]]},"abstract":"<jats:p>\n            Two-dimensional (2D) materials have gained lots of attention due to the potential applications. In this work, we propose that based on first-principles calculations, the (2 \u00d7 2) patterned PtTe\n            <jats:sub>2<\/jats:sub>\n            monolayer with kagome lattice formed by the well-ordered Te vacancy (PtTe\n            <jats:sub>1.75<\/jats:sub>\n            ) hosts large and tunable spin Hall conductivity (SHC) and excellent hydrogen evolution reaction (HER) activity. The unconventional nature relies on the\n            <jats:italic>A<\/jats:italic>\n            1 @ 1\n            <jats:italic>b<\/jats:italic>\n            band representation of the highest valence band without spin\u2013orbit coupling (SOC). The large SHC comes from the Rashba SOC in the noncentrosymmetric structure induced by the Te vacancy. Even though it has a metallic SOC band structure, the \u2124\n            <jats:sub>2<\/jats:sub>\n            invariant is well defined because of the existence of the direct bandgap and is computed to be nontrivial. The calculated SHC is as large as 1.25 \u00d7 10\n            <jats:sup>3<\/jats:sup>\n            <jats:inline-formula>\n              <mml:math xmlns:mml=\"http:\/\/www.w3.org\/1998\/Math\/MathML\" display=\"inline\" overflow=\"scroll\">\n                <mml:mfrac>\n                  <mml:mi>\u210f<\/mml:mi>\n                  <mml:mi>e<\/mml:mi>\n                <\/mml:mfrac>\n              <\/mml:math>\n            <\/jats:inline-formula>\n            (\u03a9 cm)\n            <jats:sup>\u22121<\/jats:sup>\n            at the Fermi level (\n            <jats:italic>\n              E\n              <jats:sub>F<\/jats:sub>\n            <\/jats:italic>\n            ). By tuning the chemical potential from\n            <jats:italic>\n              E\n              <jats:sub>F<\/jats:sub>\n            <\/jats:italic>\n            \u2212 0.3 to\n            <jats:italic>\n              E\n              <jats:sub>F<\/jats:sub>\n            <\/jats:italic>\n            + 0.3 eV, it varies rapidly and monotonically from \u22121.2 \u00d7 10\n            <jats:sup>3<\/jats:sup>\n            to 3.1\n            <jats:inline-formula>\n              <mml:math xmlns:mml=\"http:\/\/www.w3.org\/1998\/Math\/MathML\" display=\"inline\" overflow=\"scroll\">\n                <mml:mo>\u00d7<\/mml:mo>\n                <mml:mn>1<\/mml:mn>\n                <mml:msup>\n                  <mml:mn>0<\/mml:mn>\n                  <mml:mn>3<\/mml:mn>\n                <\/mml:msup>\n                <mml:mfrac>\n                  <mml:mi>\u210f<\/mml:mi>\n                  <mml:mi>e<\/mml:mi>\n                <\/mml:mfrac>\n                <mml:msup>\n                  <mml:mrow>\n                    <mml:mfenced close=\")\" open=\"(\">\n                      <mml:mrow>\n                        <mml:mi mathvariant=\"normal\">\u03a9<\/mml:mi>\n                        <mml:mo>\u00a0<\/mml:mo>\n                        <mml:mi>cm<\/mml:mi>\n                      <\/mml:mrow>\n                    <\/mml:mfenced>\n                  <\/mml:mrow>\n                  <mml:mrow>\n                    <mml:mo>\u2212<\/mml:mo>\n                    <mml:mn>1<\/mml:mn>\n                  <\/mml:mrow>\n                <\/mml:msup>\n              <\/mml:math>\n            <\/jats:inline-formula>\n            . In addition, we also find that the Te vacancy in the patterned monolayer can induce excellent HER activity. Our results not only offer a new idea to search 2D materials with large SHC, i.e., by introducing inversion\u2013symmetry breaking vacancies in large SOC systems, but also provide a feasible system with tunable SHC (by applying gate voltage) and excellent HER activity.\n          <\/jats:p>","DOI":"10.34133\/research.0042","type":"journal-article","created":{"date-parts":[[2023,1,10]],"date-time":"2023-01-10T16:13:20Z","timestamp":1673367200000},"update-policy":"https:\/\/doi.org\/10.34133\/aaas_crossmark_01","source":"Crossref","is-referenced-by-count":14,"title":["Large Spin Hall Conductivity and Excellent Hydrogen Evolution Reaction Activity in Unconventional PtTe\n            <sub>1.75<\/sub>\n            Monolayer"],"prefix":"10.34133","volume":"6","author":[{"given":"Dexi","family":"Shao","sequence":"first","affiliation":[{"name":"Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China."},{"name":"Department of Physics, Hangzhou Normal University, Hangzhou 311121, China."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Junze","family":"Deng","sequence":"additional","affiliation":[{"name":"Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China."},{"name":"University of Chinese Academy of Sciences, Beijing 100049, China."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Haohao","family":"Sheng","sequence":"additional","affiliation":[{"name":"Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China."},{"name":"University of Chinese Academy of Sciences, Beijing 100049, China."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ruihan","family":"Zhang","sequence":"additional","affiliation":[{"name":"Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China."},{"name":"University of Chinese Academy of Sciences, Beijing 100049, China."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hongming","family":"Weng","sequence":"additional","affiliation":[{"name":"Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China."},{"name":"University of Chinese Academy of Sciences, Beijing 100049, China."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhong","family":"Fang","sequence":"additional","affiliation":[{"name":"Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China."},{"name":"University of Chinese Academy of Sciences, Beijing 100049, China."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xing-Qiu","family":"Chen","sequence":"additional","affiliation":[{"name":"Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Science, Shenyang 110016, Liaoning, China."},{"name":"School of Materials Science and Engineering, University of Science and Technology of China, Hefei, China."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yan","family":"Sun","sequence":"additional","affiliation":[{"name":"Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Science, Shenyang 110016, Liaoning, China."},{"name":"School of Materials Science and Engineering, University of Science and Technology of China, Hefei, China."}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhijun","family":"Wang","sequence":"additional","affiliation":[{"name":"Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China."},{"name":"University of Chinese Academy of Sciences, Beijing 100049, China."}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"221","reference":[{"issue":"1","key":"e_1_3_4_2_2","doi-asserted-by":"crossref","DOI":"10.1103\/RevModPhys.90.015001","article-title":"Weyl and Dirac semimetals in three-dimensional solids","volume":"90","author":"Armitage NP","year":"2018","unstructured":"Armitage NP, Mele EJ, Vishwanath A. 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