{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,13]],"date-time":"2026-11-13T23:49:09Z","timestamp":1794613749953,"version":"4.9.1"},"reference-count":63,"publisher":"American Physical Society (APS)","issue":"9","license":[{"start":{"date-parts":[[2025,9,2]],"date-time":"2025-09-02T00:00:00Z","timestamp":1756771200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["SPP2196"],"award-info":[{"award-number":["SPP2196"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["424709454"],"award-info":[{"award-number":["424709454"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Germany's Excellence Strategy","award":["EXC 2089\/1-390776260"],"award-info":[{"award-number":["EXC 2089\/1-390776260"]}]}],"content-domain":{"domain":["journals.aps.org"],"crossmark-restriction":true},"short-container-title":["Phys. Rev. Materials"],"accepted":{"date-parts":[[2025,7,29]]},"abstract":"<jats:p>\n                    Predicting and explaining charge carrier transport in halide perovskites is a formidable challenge because of the unusual vibrational and electron-phonon coupling properties of these materials. This study explores charge carrier transport in two prototypical halide perovskite materials, methylammonium lead tribromide (\n                    <a:math xmlns:a=\"http:\/\/www.w3.org\/1998\/Math\/MathML\">\n                      <a:msub>\n                        <a:mi>MAPbBr<\/a:mi>\n                        <a:mn>3<\/a:mn>\n                      <\/a:msub>\n                    <\/a:math>\n                    ) and methylammonium lead triiodide (\n                    <b:math xmlns:b=\"http:\/\/www.w3.org\/1998\/Math\/MathML\">\n                      <b:msub>\n                        <b:mi>MAPbI<\/b:mi>\n                        <b:mn>3<\/b:mn>\n                      <\/b:msub>\n                    <\/b:math>\n                    ), using a dynamic disorder model. Focusing on the role of real-space transport channels, we analyze temporal orbital occupations to assess the impact of material-specific on-site energy levels and spin-orbit coupling (SOC) strengths. Our findings reveal that both on-site energies and SOC magnitude significantly influence the orbital occupation dynamics, thereby affecting charge dispersal and carrier mobility. In particular, energy gaps across on-site levels and the halide SOC strength govern the filling of transport channels over time. This leads us to identify the\n                    <c:math xmlns:c=\"http:\/\/www.w3.org\/1998\/Math\/MathML\">\n                      <c:mrow>\n                        <c:mi>p<\/c:mi>\n                        <c:mi>p<\/c:mi>\n                        <c:mi>\u03c0<\/c:mi>\n                      <\/c:mrow>\n                    <\/c:math>\n                    channel as a critical bottleneck for charge transport and to provide insights into the differences between electron and hole transport across the two materials.\n                  <\/jats:p>","DOI":"10.1103\/c4v6-kf43","type":"journal-article","created":{"date-parts":[[2025,9,2]],"date-time":"2025-09-02T15:33:21Z","timestamp":1756827201000},"update-policy":"https:\/\/doi.org\/10.1103\/crossmark-policy","source":"Crossref","is-referenced-by-count":5,"title":["Analysis of real-space transport channels for electrons and holes in halide perovskites"],"prefix":"10.1103","volume":"9","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-9841-4284","authenticated-orcid":true,"given":"Frederik","family":"Vonhoff","sequence":"first","affiliation":[{"id":[{"id":"https:\/\/ror.org\/02kkvpp62","id-type":"ROR","asserted-by":"publisher"}],"name":"Technical University of Munich"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0007-8245-2455","authenticated-orcid":true,"given":"Maximilian J.","family":"Schilcher","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/02kkvpp62","id-type":"ROR","asserted-by":"publisher"}],"name":"Technical University of Munich"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5265-5637","authenticated-orcid":true,"given":"David R.","family":"Reichman","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/00hj8s172","id-type":"ROR","asserted-by":"publisher"}],"name":"Columbia University"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8424-902X","authenticated-orcid":true,"given":"David A.","family":"Egger","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/02kkvpp62","id-type":"ROR","asserted-by":"publisher"}],"name":"Technical University of Munich"},{"id":[{"id":"https:\/\/ror.org\/02kkvpp62","id-type":"ROR","asserted-by":"publisher"}],"name":"Technical University of Munich"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"16","published-online":{"date-parts":[[2025,9,2]]},"reference":[{"key":"c4v6-kf43Cc1R1","doi-asserted-by":"publisher","DOI":"10.1038\/nnano.2015.90","type":"journal-article"},{"key":"c4v6-kf43Cc2R1","doi-asserted-by":"publisher","DOI":"10.1126\/science.aam6323","type":"journal-article"},{"key":"c4v6-kf43Cc3R1","doi-asserted-by":"publisher","DOI":"10.1039\/D1TA04527J","type":"journal-article"},{"key":"c4v6-kf43Cc4R1","doi-asserted-by":"publisher","DOI":"10.1038\/natrevmats.2015.7","type":"journal-article"},{"key":"c4v6-kf43Cc5R1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.6b00136","type":"journal-article"},{"key":"c4v6-kf43Cc6R1","doi-asserted-by":"publisher","DOI":"10.1002\/adma.201600265","type":"journal-article"},{"key":"c4v6-kf43Cc7R1","doi-asserted-by":"publisher","DOI":"10.1038\/natrevmats.2016.99","type":"journal-article"},{"key":"c4v6-kf43Cc8R1","doi-asserted-by":"publisher","DOI":"10.1021\/jz500279b","type":"journal-article"},{"key":"c4v6-kf43Cc9R1","doi-asserted-by":"publisher","DOI":"10.1002\/aenm.201903659","type":"journal-article"},{"key":"c4v6-kf43Cc10R1","doi-asserted-by":"publisher","DOI":"10.1126\/science.1243982","type":"journal-article"},{"key":"c4v6-kf43Cc11R1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.5b00411","type":"journal-article"},{"key":"c4v6-kf43Cc12R1","doi-asserted-by":"publisher","DOI":"10.1039\/C7TA00404D","type":"journal-article"},{"key":"c4v6-kf43Cc13R1","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-642-00710-1","type":"book","volume-title":"Fundamentals of Semiconductors","author":"P.\u00a0Y. 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