{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,25]],"date-time":"2026-08-25T04:33:42Z","timestamp":1787632422354,"version":"build-2736575974"},"reference-count":50,"publisher":"The Royal Society","issue":"2265","license":[{"start":{"date-parts":[[2023,12,4]],"date-time":"2023-12-04T00:00:00Z","timestamp":1701648000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2023,12,4]],"date-time":"2023-12-04T00:00:00Z","timestamp":1701648000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100000780","name":"European Commission","doi-asserted-by":"crossref","award":["101046911"],"award-info":[{"award-number":["101046911"]}],"id":[{"id":"10.13039\/501100000780","id-type":"DOI","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100011019","name":"Nemzeti Kutat\u00e1si Fejleszt\u00e9si \u00e9s Innov\u00e1ci\u00f3s Hivatal","doi-asserted-by":"crossref","award":["2022-2.1.1-NL-2022-00004"],"award-info":[{"award-number":["2022-2.1.1-NL-2022-00004"]}],"id":[{"id":"10.13039\/501100011019","id-type":"DOI","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100011019","name":"Nemzeti Kutat\u00e1si Fejleszt\u00e9si \u00e9s Innov\u00e1ci\u00f3s Hivatal","doi-asserted-by":"crossref","award":["KKP129866"],"award-info":[{"award-number":["KKP129866"]}],"id":[{"id":"10.13039\/501100011019","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["royalsocietypublishing.org"],"crossmark-restriction":true},"short-container-title":["Phil. Trans. R. Soc. A."],"published-print":{"date-parts":[[2024,1,22]]},"abstract":"<jats:p>\n                    We analyse the spin\u2013orbit and Jahn\u2013Teller interactions in\n                    <jats:inline-formula>\n                      <mml:math xmlns:mml=\"http:\/\/www.w3.org\/1998\/Math\/MathML\">\n                        <mml:msub>\n                          <mml:mi>T<\/mml:mi>\n                          <mml:mi>d<\/mml:mi>\n                        <\/mml:msub>\n                      <\/mml:math>\n                    <\/jats:inline-formula>\n                    symmetry that are relevant for substitutional transition metal defects in semiconductors. We apply our theory to the substitutional nickel defect in diamond and compute the appropriate fine-level structure and magneto-optical parameters by means of hybrid density functional theory. Our calculations confirm the intepretations of previous experimental findings that the 2.56 and 2.51\u2009eV optical centres are associated with this defect. Our analysis of the electronic structure unravels possible mechanisms behind the observed optical transitions and the optically detected magnetic resonance signal, too.\n                  <\/jats:p>\n                  <jats:p>This article is part of the Theo Murphy meeting issue \u2018Diamond for quantum applications\u2019.<\/jats:p>","DOI":"10.1098\/rsta.2022.0310","type":"journal-article","created":{"date-parts":[[2023,12,3]],"date-time":"2023-12-03T19:05:11Z","timestamp":1701630311000},"update-policy":"https:\/\/doi.org\/10.1098\/crossmark-policy","source":"Crossref","is-referenced-by-count":7,"title":["Spin\u2013orbit coupling and Jahn\u2013Teller effect in\n                    <i>T<\/i>\n                    <sub>\n                      <i>d<\/i>\n                    <\/sub>\n                    symmetry: an\n                    <i>ab initio<\/i>\n                    study on the substitutional nickel defect in diamond"],"prefix":"10.1098","volume":"382","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3357-5583","authenticated-orcid":true,"given":"Gerg\u0151","family":"Thiering","sequence":"first","affiliation":[{"name":"HUN-REN Wigner Research Centre for Physics, Institute for Solid State Physics and Optics, Institute for Solid State Physics and Optics, PO Box 49, H-1525, Budapest, Hungary"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3339-5470","authenticated-orcid":true,"given":"Adam","family":"Gali","sequence":"additional","affiliation":[{"name":"HUN-REN Wigner Research Centre for Physics, Institute for Solid State Physics and Optics, Institute for Solid State Physics and Optics, PO Box 49, H-1525, Budapest, Hungary"},{"name":"Department of Atomic Physics, Institute of Physics, Budapest University of Technology and Economics, M\u00fcegyetem rakpart 3,1111 Budapest, Hungary"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"175","published-online":{"date-parts":[[2023,12,4]]},"reference":[{"key":"e_1_3_7_2_2","volume-title":"Optical properties of diamond: a data handbook","author":"Zaitsev AM","year":"2013","unstructured":"Zaitsev AM. 2013 Optical properties of diamond: a data handbook. 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