{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,10]],"date-time":"2026-09-10T05:45:27Z","timestamp":1789019127008,"version":"build-2803163510"},"reference-count":64,"publisher":"IOP Publishing","issue":"4","license":[{"start":{"date-parts":[[2024,8,22]],"date-time":"2024-08-22T00:00:00Z","timestamp":1724284800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2024,8,22]],"date-time":"2024-08-22T00:00:00Z","timestamp":1724284800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/iopscience.iop.org\/info\/page\/text-and-data-mining"}],"funder":[{"DOI":"10.13039\/100008398","name":"Villum Fonden","doi-asserted-by":"crossref","award":["00029378"],"award-info":[{"award-number":["00029378"]}],"id":[{"id":"10.13039\/100008398","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["iopscience.iop.org"],"crossmark-restriction":false},"short-container-title":["2D Mater."],"published-print":{"date-parts":[[2024,10,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>We calculate the orbital magnetization of 822 two-dimensional magnetic materials from the Computational 2D Materials Database (C2DB). For compounds containing 5<jats:italic>d<\/jats:italic> elements we find orbital moments of the order of 0.3\u20130.5 <jats:inline-formula>\n                     <jats:tex-math\/>\n                     <mml:math xmlns:mml=\"http:\/\/www.w3.org\/1998\/Math\/MathML\" overflow=\"scroll\">\n                        <mml:mrow>\n                           <mml:msub>\n                              <mml:mi>\u03bc<\/mml:mi>\n                              <mml:mrow>\n                                 <mml:mrow>\n                                    <mml:mi mathvariant=\"normal\">B<\/mml:mi>\n                                 <\/mml:mrow>\n                              <\/mml:mrow>\n                           <\/mml:msub>\n                        <\/mml:mrow>\n                     <\/mml:math>\n                  <\/jats:inline-formula>, which points to the necessity of including these in any type of magnetic modeling and comparison with experiments. It is also shown that the alignment of orbital moments with respect to the spin largely follows the predictions from Hund\u2019s rule and that deviations may be explained by the <jats:italic>d<\/jats:italic>-band splitting originating from the crystal field\u2014for example in the important case of CrI<jats:sub>3<\/jats:sub>. Finally, we show that for certain insulators, Hubbard corrections may lead to large and fully unquenched orbital moments that are pinned to the lattice rather than the spin and that these moments can lead to enormous magnetic anisotropies. Such unquenched ground states are only found from density functional theory calculations that include both Hubbard corrections and self-consistent spin\u2013orbit coupling and largely invalidates the use of the magnetic force theorem for calculating magnetic anisotropies.<\/jats:p>","DOI":"10.1088\/2053-1583\/ad6ba3","type":"journal-article","created":{"date-parts":[[2024,8,6]],"date-time":"2024-08-06T22:48:50Z","timestamp":1722984530000},"page":"045010","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":7,"title":["Orbital magnetization in two-dimensional materials from high-throughput computational screening"],"prefix":"10.1088","volume":"11","author":[{"ORCID":"https:\/\/orcid.org\/0009-0008-6950-510X","authenticated-orcid":true,"given":"Martin","family":"Ovesen","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6256-9284","authenticated-orcid":true,"given":"Thomas","family":"Olsen","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"266","published-online":{"date-parts":[[2024,8,22]]},"reference":[{"key":"tdmad6ba3bib1","volume":"vol 122","author":"Yosida","year":"1996"},{"key":"tdmad6ba3bib2","first-page":"pp 1","article-title":"Density functional theory for magnetism and magnetic anisotropy","author":"Bihlmayer","year":"2018"},{"key":"tdmad6ba3bib3","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.93.161104","volume":"93","author":"Aryasetiawan","year":"2016","journal-title":"Phys. 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