{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,21]],"date-time":"2026-10-21T19:29:40Z","timestamp":1792610980846,"version":"4.5.0"},"reference-count":64,"publisher":"Royal Society of Chemistry (RSC)","issue":"17","license":[{"start":{"date-parts":[[2026,4,21]],"date-time":"2026-04-21T00:00:00Z","timestamp":1776729600000},"content-version":"vor","delay-in-days":110,"URL":"http:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"funder":[{"DOI":"10.13039\/501100004412","name":"T\u00fcrkiye Bilimler Akademisi","doi-asserted-by":"publisher","award":["Outstanding Young Scientists Award Program (TUBA)"],"award-info":[{"award-number":["Outstanding Young Scientists Award Program (TUBA)"]}],"id":[{"id":"10.13039\/501100004412","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004410","name":"T\u00fcrkiye Bilimsel ve Teknolojik Arastirma Kurumu","doi-asserted-by":"publisher","award":["221N400"],"award-info":[{"award-number":["221N400"]}],"id":[{"id":"10.13039\/501100004410","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004410","name":"T\u00fcrkiye Bilimsel ve Teknolojik Arastirma Kurumu","doi-asserted-by":"publisher","award":["TRUBA (High Performance"],"award-info":[{"award-number":["TRUBA (High Performance"]}],"id":[{"id":"10.13039\/501100004410","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004410","name":"T\u00fcrkiye Bilimsel ve Teknolojik Arastirma Kurumu","doi-asserted-by":"publisher","award":["Grid Computing Center)"],"award-info":[{"award-number":["Grid Computing Center)"]}],"id":[{"id":"10.13039\/501100004410","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>\n                    In this study, we investigate the structural, electronic, and magnetic properties of the orthorhombic phase of Cr\n                    <jats:sub>2<\/jats:sub>\n                    XYSe\n                    <jats:sub>2<\/jats:sub>\n                    (X, Y = F, Cl, Br, I) two-dimensional monolayers using first-principles calculations based on density functional theory.\n                  <\/jats:p>","DOI":"10.1039\/d5cp04913j","type":"journal-article","created":{"date-parts":[[2026,4,21]],"date-time":"2026-04-21T10:44:31Z","timestamp":1776768271000},"page":"10965-10977","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Halogen-driven magnetic properties of two-dimensional binary and Janus Cr\n                    <sub>2<\/sub>\n                    XYSe\n                    <sub>2<\/sub>\n                    (X, Y = F, Cl, Br, I) monolayers"],"prefix":"10.1039","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0009-0005-9232-2713","authenticated-orcid":false,"given":"S. Davoudi","family":"Tanha","sequence":"first","affiliation":[{"name":"Department of Physics Engineering, Faculty of Engineering, Ankara University, Ankara, 06100, Turkey"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7502-1522","authenticated-orcid":false,"given":"Y.","family":"Mogulkoc","sequence":"additional","affiliation":[{"name":"Department of Physics Engineering, Faculty of Engineering, Ankara University, Ankara, 06100, Turkey"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0119-4156","authenticated-orcid":false,"given":"A.","family":"Mogulkoc","sequence":"additional","affiliation":[{"name":"Department of Physics, Faculty of Science, Ankara University, Ankara, 06100, Turkey"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"key":"D5CP04913J\/cit1\/1","doi-asserted-by":"crossref","first-page":"47","DOI":"10.1038\/s41586-018-0631-z","volume":"563","author":"Burch","year":"2018","journal-title":"Nature"},{"key":"D5CP04913J\/cit2\/1","doi-asserted-by":"crossref","first-page":"035002","DOI":"10.1088\/2053-1583\/aa75ed","volume":"4","author":"Lado","year":"2017","journal-title":"2D Mater."},{"key":"D5CP04913J\/cit3\/1","doi-asserted-by":"crossref","first-page":"270","DOI":"10.1038\/nature22391","volume":"546","author":"Huang","year":"2017","journal-title":"Nature"},{"key":"D5CP04913J\/cit4\/1","doi-asserted-by":"crossref","first-page":"265","DOI":"10.1038\/nature22060","volume":"546","author":"Gong","year":"2017","journal-title":"Nature"},{"key":"D5CP04913J\/cit5\/1","doi-asserted-by":"crossref","first-page":"778","DOI":"10.1038\/s41563-018-0149-7","volume":"17","author":"Fei","year":"2018","journal-title":"Nat. Mater."},{"key":"D5CP04913J\/cit6\/1","doi-asserted-by":"crossref","first-page":"4436","DOI":"10.1021\/acsnano.8b09660","volume":"13","author":"May","year":"2019","journal-title":"ACS Nano"},{"key":"D5CP04913J\/cit7\/1","doi-asserted-by":"crossref","first-page":"29672","DOI":"10.1039\/D3CP04584F","volume":"25","author":"Han","year":"2023","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP04913J\/cit8\/1","doi-asserted-by":"crossref","first-page":"2003240","DOI":"10.1002\/adma.202003240","volume":"32","author":"Telford","year":"2020","journal-title":"Adv. Mater."},{"key":"D5CP04913J\/cit9\/1","doi-asserted-by":"crossref","first-page":"646","DOI":"10.1038\/s42254-019-0110-y","volume":"1","author":"Mak","year":"2019","journal-title":"Nat. Rev. Phys."},{"key":"D5CP04913J\/cit10\/1","doi-asserted-by":"crossref","first-page":"e09453","DOI":"10.1002\/adfm.202509453","author":"Hou","year":"2025","journal-title":"Adv. Funct. Mater."},{"key":"D5CP04913J\/cit11\/1","doi-asserted-by":"crossref","first-page":"035022","DOI":"10.1088\/2053-1583\/abf626","volume":"8","author":"Memarzadeh","year":"2021","journal-title":"2D Mater."},{"key":"D5CP04913J\/cit12\/1","doi-asserted-by":"crossref","first-page":"22403","DOI":"10.1039\/D4CP01823K","volume":"26","author":"Tanha","year":"2024","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP04913J\/cit13\/1","doi-asserted-by":"crossref","first-page":"24968","DOI":"10.1039\/D3CP02470A","volume":"25","author":"Guan","year":"2023","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP04913J\/cit14\/1","doi-asserted-by":"crossref","first-page":"054004","DOI":"10.1103\/PhysRevMaterials.9.054004","volume":"9","author":"Zhang","year":"2025","journal-title":"Phys. Rev. Mater."},{"key":"D5CP04913J\/cit15\/1","doi-asserted-by":"crossref","first-page":"3511","DOI":"10.1021\/acs.nanolett.1c00219","volume":"21","author":"Lee","year":"2021","journal-title":"Nano Lett."},{"key":"D5CP04913J\/cit16\/1","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1038\/s41524-023-01050-3","volume":"9","author":"Rudenko","year":"2023","journal-title":"npj Comput. Mater."},{"key":"D5CP04913J\/cit17\/1","doi-asserted-by":"crossref","first-page":"20892","DOI":"10.1039\/C9CP03535D","volume":"21","author":"Han","year":"2019","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP04913J\/cit18\/1","doi-asserted-by":"crossref","first-page":"15670","DOI":"10.1039\/D0NR03340E","volume":"12","author":"Chen","year":"2020","journal-title":"Nanoscale"},{"key":"D5CP04913J\/cit19\/1","doi-asserted-by":"crossref","first-page":"2003","DOI":"10.1021\/acs.jpcc.2c07461","volume":"127","author":"Han","year":"2023","journal-title":"J. Phys. Chem. C"},{"key":"D5CP04913J\/cit20\/1","doi-asserted-by":"crossref","first-page":"171074","DOI":"10.1016\/j.jmmm.2023.171074","volume":"584","author":"Han","year":"2023","journal-title":"J. Magn. Magn. Mater."},{"key":"D5CP04913J\/cit21\/1","doi-asserted-by":"publisher","first-page":"083102","DOI":"10.1063\/5.0014865","volume":"117","author":"Wang","year":"2020","journal-title":"Appl. Phys. Lett."},{"key":"D5CP04913J\/cit22\/1","doi-asserted-by":"publisher","first-page":"052403","DOI":"10.1063\/1.5140644","volume":"116","author":"Xu","year":"2020","journal-title":"Appl. Phys. Lett."},{"key":"D5CP04913J\/cit23\/1","doi-asserted-by":"crossref","first-page":"115590","DOI":"10.1016\/j.physe.2022.115590","volume":"147","author":"Diao","year":"2023","journal-title":"Phys. E"},{"key":"D5CP04913J\/cit24\/1","doi-asserted-by":"crossref","first-page":"12219","DOI":"10.1039\/D4CP00855C","volume":"26","author":"Han","year":"2024","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP04913J\/cit25\/1","doi-asserted-by":"crossref","first-page":"1657","DOI":"10.1038\/s41563-021-01070-8","volume":"20","author":"Wilson","year":"2021","journal-title":"Nat. Mater."},{"key":"D5CP04913J\/cit26\/1","doi-asserted-by":"crossref","first-page":"2109759","DOI":"10.1002\/adma.202109759","volume":"34","author":"Wu","year":"2022","journal-title":"Adv. Mater."},{"key":"D5CP04913J\/cit27\/1","doi-asserted-by":"crossref","first-page":"2204940","DOI":"10.1002\/adma.202204940","volume":"34","author":"Boix-Constant","year":"2022","journal-title":"Adv. Mater."},{"issue":"6","key":"D5CP04913J\/cit28\/1","doi-asserted-by":"publisher","first-page":"5316","DOI":"10.1021\/acsnano.2c07316","volume":"17","author":"Klein","year":"2023","journal-title":"ACS Nano"},{"key":"D5CP04913J\/cit29\/1","doi-asserted-by":"crossref","first-page":"788","DOI":"10.1039\/D2MH01362B","volume":"10","author":"Jiang","year":"2023","journal-title":"Mater. Horiz."},{"key":"D5CP04913J\/cit30\/1","doi-asserted-by":"crossref","first-page":"013026","DOI":"10.1088\/1367-2630\/acb3ee","volume":"25","author":"Bo","year":"2023","journal-title":"New J. Phys."},{"key":"D5CP04913J\/cit31\/1","doi-asserted-by":"crossref","first-page":"754","DOI":"10.1038\/s41563-022-01245-x","volume":"21","author":"Telford","year":"2022","journal-title":"Nat. Mater."},{"key":"D5CP04913J\/cit32\/1","doi-asserted-by":"crossref","DOI":"10.1093\/oso\/9780198505921.001.0001","volume-title":"Magnetism in condensed matter","author":"Blundell","year":"2001","unstructured":"S.Blundell ,  Magnetism in condensed matter ,  OUP ,  Oxford ,  2001"},{"key":"D5CP04913J\/cit33\/1","doi-asserted-by":"crossref","DOI":"10.1142\/6094","volume-title":"The quantum theory of magnetism","author":"Majlis","year":"2007","unstructured":"N.Majlis ,  The quantum theory of magnetism ,  World Scientific ,  2007"},{"key":"D5CP04913J\/cit34\/1","doi-asserted-by":"crossref","first-page":"8771","DOI":"10.1021\/acs.nanolett.2c02863","volume":"22","author":"Esteras","year":"2022","journal-title":"Nano Lett."},{"key":"D5CP04913J\/cit35\/1","doi-asserted-by":"publisher","first-page":"195101","DOI":"10.1063\/5.0270732","volume":"138","author":"Han","year":"2025","journal-title":"J. Appl. Phys."},{"key":"D5CP04913J\/cit36\/1","doi-asserted-by":"crossref","first-page":"17953","DOI":"10.1103\/PhysRevB.50.17953","volume":"50","author":"Bl\u00f6chl","year":"1994","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D5CP04913J\/cit37\/1","doi-asserted-by":"crossref","first-page":"1758","DOI":"10.1103\/PhysRevB.59.1758","volume":"59","author":"Kresse","year":"1999","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D5CP04913J\/cit38\/1","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1016\/0927-0256(96)00008-0","volume":"6","author":"Kresse","year":"1996","journal-title":"Comput. Mater. Sci."},{"key":"D5CP04913J\/cit39\/1","doi-asserted-by":"crossref","first-page":"11169","DOI":"10.1103\/PhysRevB.54.11169","volume":"54","author":"Kresse","year":"1996","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D5CP04913J\/cit40\/1","doi-asserted-by":"crossref","first-page":"3865","DOI":"10.1103\/PhysRevLett.77.3865","volume":"77","author":"Perdew","year":"1996","journal-title":"Phys. Rev. Lett."},{"key":"D5CP04913J\/cit41\/1","first-page":"767","volume":"9","author":"Anisimov","year":"1997","journal-title":"J. Phys.: Condens. Matter"},{"key":"D5CP04913J\/cit42\/1","doi-asserted-by":"crossref","first-page":"1505","DOI":"10.1103\/PhysRevB.57.1505","volume":"57","author":"Dudarev","year":"1998","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D5CP04913J\/cit43\/1","doi-asserted-by":"crossref","first-page":"8207","DOI":"10.1063\/1.1564060","volume":"118","author":"Heyd","year":"2003","journal-title":"J. Chem. Phys."},{"key":"D5CP04913J\/cit44\/1","doi-asserted-by":"publisher","first-page":"224106","DOI":"10.1063\/1.2404663","volume":"125","author":"Krukau","year":"2006","journal-title":"J. Chem. Phys."},{"key":"D5CP04913J\/cit45\/1","doi-asserted-by":"crossref","first-page":"5188","DOI":"10.1103\/PhysRevB.13.5188","volume":"13","author":"Monkhorst","year":"1976","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D5CP04913J\/cit46\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.scriptamat.2015.07.021","volume":"108","author":"Togo","year":"2015","journal-title":"Scr. Mater."},{"key":"D5CP04913J\/cit47\/1","doi-asserted-by":"crossref","first-page":"2384","DOI":"10.1063\/1.439486","volume":"72","author":"Andersen","year":"1980","journal-title":"J. Chem. Phys."},{"key":"D5CP04913J\/cit48\/1","doi-asserted-by":"crossref","first-page":"335","DOI":"10.1080\/01621459.1949.10483310","volume":"44","author":"Metropolis","year":"1949","journal-title":"J. Am. Stat. Assoc."},{"key":"D5CP04913J\/cit49\/1","doi-asserted-by":"crossref","first-page":"320","DOI":"10.1070\/PU1960v003n03ABEH003275","volume":"3","author":"Zubarev","year":"1960","journal-title":"Soviet Physics Uspekhi"},{"key":"D5CP04913J\/cit50\/1","doi-asserted-by":"crossref","first-page":"1098","DOI":"10.1103\/PhysRev.58.1098","volume":"58","author":"Holstein","year":"1940","journal-title":"Phys. Rev."},{"key":"D5CP04913J\/cit51\/1","doi-asserted-by":"crossref","first-page":"043024","DOI":"10.1103\/PhysRevResearch.3.043024","volume":"3","author":"Tiwari","year":"2021","journal-title":"Phy. Rev. Res."},{"key":"D5CP04913J\/cit52\/1","doi-asserted-by":"crossref","first-page":"1142","DOI":"10.1557\/mrc.2019.117","volume":"9","author":"Olsen","year":"2019","journal-title":"MRS Commun."},{"key":"D5CP04913J\/cit53\/1","doi-asserted-by":"crossref","first-page":"1133","DOI":"10.1103\/PhysRevLett.17.1133","volume":"17","author":"Mermin","year":"1966","journal-title":"Phys. Rev. Lett."},{"key":"D5CP04913J\/cit54\/1","doi-asserted-by":"crossref","first-page":"25426","DOI":"10.1039\/D2CP03318F","volume":"24","author":"Caglayan","year":"2022","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP04913J\/cit55\/1","doi-asserted-by":"crossref","first-page":"094440","DOI":"10.1103\/PhysRevB.110.094440","volume":"110","author":"Caglayan","year":"2024","journal-title":"Phys. Rev. B"},{"key":"D5CP04913J\/cit56\/1","doi-asserted-by":"crossref","first-page":"064004","DOI":"10.1103\/hnw5-nkzh","volume":"9","author":"Mogulkoc","year":"2025","journal-title":"Phys. Rev. Mater."},{"key":"D5CP04913J\/cit57\/1","volume-title":"Examination of Defect-Induced Properties in Nanomaterial Systems","author":"Beck","year":"2021","unstructured":"R.Beck ,  Examination of Defect-Induced Properties in Nanomaterial Systems ,  University of Washington ,  2021"},{"key":"D5CP04913J\/cit58\/1","volume-title":"CRC handbook of chemistry and physics","author":"Lide","year":"2008","unstructured":"D. R.Lide ,  CRC handbook of chemistry and physics , The Chemical Rubber Company, 88th edn,  2008"},{"key":"D5CP04913J\/cit59\/1","doi-asserted-by":"crossref","first-page":"441","DOI":"10.1021\/j100785a001","volume":"68","author":"Bondi","year":"1964","journal-title":"J. Phys. Chem."},{"key":"D5CP04913J\/cit60\/1","doi-asserted-by":"crossref","first-page":"1900369","DOI":"10.1002\/andp.201900369","volume":"531","author":"Lian","year":"2019","journal-title":"Ann. Phys."},{"key":"D5CP04913J\/cit61\/1","doi-asserted-by":"crossref","first-page":"7543","DOI":"10.1039\/D1MA00660F","volume":"2","author":"Yin","year":"2021","journal-title":"Mater. Adv."},{"key":"D5CP04913J\/cit62\/1","doi-asserted-by":"crossref","first-page":"169412","DOI":"10.1016\/j.jmmm.2022.169412","volume":"556","author":"Azmoonfar","year":"2022","journal-title":"J. Magn. Magn. Mater."},{"key":"D5CP04913J\/cit63\/1","doi-asserted-by":"crossref","first-page":"e00873","DOI":"10.1016\/j.cocom.2023.e00873","volume":"38","author":"Maskar","year":"2024","journal-title":"Comput. Condens. Matter"},{"key":"D5CP04913J\/cit64\/1","doi-asserted-by":"crossref","first-page":"024441","DOI":"10.1103\/PhysRevB.102.024441","volume":"102","author":"Mogulkoc","year":"2020","journal-title":"Phys. Rev. B"}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2026\/CP\/D5CP04913J","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T21:35:22Z","timestamp":1782941722000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/28\/17\/10965-10977\/1229985"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026]]},"references-count":64,"journal-issue":{"issue":"17","published-print":{"date-parts":[[2026,5,6]]}},"URL":"https:\/\/doi.org\/10.1039\/d5cp04913j","relation":{"has-review":[{"id-type":"doi","id":"10.1039\/D5CP04913J\/v2\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP04913J\/v1\/review2","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP04913J\/v1\/review1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP04913J\/v2\/review1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP04913J\/v2\/response1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP04913J\/v1\/decision1","asserted-by":"object"}]},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026]]}}}