{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T08:45:22Z","timestamp":1791967522595,"version":"4.3.4"},"reference-count":43,"publisher":"Royal Society of Chemistry (RSC)","license":[{"start":{"date-parts":[[2027,10,14]],"date-time":"2027-10-14T00:00:00Z","timestamp":1823472000000},"content-version":"am","delay-in-days":651,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>\n                    CCDs of optical absorption and emission for the cluster defect Zn\n                    <jats:sub>K<\/jats:sub>\n                    + Si\n                    <jats:sub>P<\/jats:sub>\n                    .\n                  <\/jats:p>","DOI":"10.1039\/d6cp02841a","type":"journal-article","created":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T07:51:06Z","timestamp":1791964266000},"update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Cluster defect Zn\n                    <sub>K<\/sub>\n                    + Si\n                    <sub>P<\/sub>\n                    in KH\n                    <sub>2<\/sub>\n                    PO\n                    <sub>4<\/sub>\n                    crystals: effects on electronic structure and optical properties"],"prefix":"10.1039","author":[{"given":"Yu","family":"Ren","sequence":"first","affiliation":[{"name":"College of Science, University of Shanghai for Science and Technology, 516 Jungong Road, Shanghai 200093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Haixiu","family":"Gan","sequence":"additional","affiliation":[{"name":"Sino-British College, University of Shanghai for Science and Technology, 516 Jungong Road, Shanghai 200093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fang","family":"Xie","sequence":"additional","affiliation":[{"name":"College of Science, University of Shanghai for Science and Technology, 516 Jungong Road, Shanghai 200093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ning","family":"Meng","sequence":"additional","affiliation":[{"name":"College of Science, University of Shanghai for Science and Technology, 516 Jungong Road, Shanghai 200093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9493-0847","authenticated-orcid":false,"given":"Tingyu","family":"Liu","sequence":"additional","affiliation":[{"name":"College of Science, University of Shanghai for Science and Technology, 516 Jungong Road, Shanghai 200093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"key":"D6CP02841A\/cit1\/1","doi-asserted-by":"crossref","first-page":"025005","DOI":"10.1103\/RevModPhys.95.025005","volume":"95","author":"Hurricane","year":"2023","journal-title":"Rev. Mod. Phys."},{"key":"D6CP02841A\/cit2\/1","doi-asserted-by":"crossref","first-page":"243","DOI":"10.1016\/j.mre.2017.07.004","volume":"2","author":"Zheng","year":"2017","journal-title":"Matter Radiat. Extremes"},{"key":"D6CP02841A\/cit3\/1","doi-asserted-by":"crossref","first-page":"189","DOI":"10.1039\/D2CE01186G","volume":"25","author":"Cui","year":"2023","journal-title":"CrystEngComm"},{"key":"D6CP02841A\/cit4\/1","doi-asserted-by":"crossref","first-page":"14490","DOI":"10.1039\/C5RA24761F","volume":"6","author":"Wang","year":"2016","journal-title":"RSC Adv."},{"key":"D6CP02841A\/cit5\/1","doi-asserted-by":"crossref","first-page":"7413","DOI":"10.1103\/PhysRevB.59.7413","volume":"59","author":"Hammer","year":"1999","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D6CP02841A\/cit6\/1","doi-asserted-by":"crossref","first-page":"2947","DOI":"10.1364\/OL.458952","volume":"47","author":"Cui","year":"2022","journal-title":"Opt. Lett."},{"key":"D6CP02841A\/cit7\/1","doi-asserted-by":"crossref","first-page":"112065","DOI":"10.1016\/j.vacuum.2023.112065","volume":"212","author":"You","year":"2023","journal-title":"Vacuum"},{"key":"D6CP02841A\/cit8\/1","doi-asserted-by":"crossref","first-page":"3331","DOI":"10.1039\/D6CE00144K","volume":"28","author":"Bai","year":"2026","journal-title":"CrystEngComm"},{"key":"D6CP02841A\/cit9\/1","first-page":"117827","author":"Guodong","year":"2025","journal-title":"Opt. Mater."},{"key":"D6CP02841A\/cit10\/1","doi-asserted-by":"crossref","first-page":"e20341","DOI":"10.1111\/jace.20341","volume":"108","author":"Yang","year":"2025","journal-title":"J. Am. Ceram. Soc."},{"key":"D6CP02841A\/cit11\/1","doi-asserted-by":"crossref","first-page":"5838","DOI":"10.1039\/D4MA00036F","volume":"5","author":"Li","year":"2024","journal-title":"Mater. Adv."},{"key":"D6CP02841A\/cit12\/1","doi-asserted-by":"crossref","first-page":"108788","DOI":"10.1016\/j.mtcomm.2024.108788","volume":"39","author":"Feng","year":"2024","journal-title":"Mater. Today Commun."},{"key":"D6CP02841A\/cit13\/1","doi-asserted-by":"crossref","first-page":"47","DOI":"10.1063\/1.1320030","volume":"89","author":"Garces","year":"2001","journal-title":"J. Appl. Phys."},{"key":"D6CP02841A\/cit14\/1","doi-asserted-by":"crossref","first-page":"114671","DOI":"10.1016\/j.comptc.2024.114671","volume":"1237","author":"Zhu","year":"2024","journal-title":"Comput. Theor. Chem."},{"key":"D6CP02841A\/cit15\/1","doi-asserted-by":"crossref","first-page":"109758","DOI":"10.1016\/j.mtcomm.2024.109758","volume":"40","author":"Hu","year":"2024","journal-title":"Mater. Today Commun."},{"key":"D6CP02841A\/cit16\/1","doi-asserted-by":"crossref","first-page":"2104","DOI":"10.1007\/s11837-024-06975-8","volume":"77","author":"Zhao","year":"2024","journal-title":"JOM"},{"key":"D6CP02841A\/cit17\/1","doi-asserted-by":"crossref","first-page":"193","DOI":"10.1007\/s11581-012-0824-7","volume":"19","author":"Ettoumi","year":"2013","journal-title":"Ionics"},{"key":"D6CP02841A\/cit18\/1","doi-asserted-by":"crossref","first-page":"111704","DOI":"10.1016\/j.jpcs.2023.111704","volume":"184","author":"Liu","year":"2024","journal-title":"J. Phys. Chem. Solids"},{"key":"D6CP02841A\/cit19\/1","doi-asserted-by":"crossref","first-page":"2200107","DOI":"10.1002\/crat.202200107","volume":"58","author":"Li","year":"2023","journal-title":"Cryst. Res. Technol."},{"key":"D6CP02841A\/cit20\/1","doi-asserted-by":"crossref","first-page":"109849","DOI":"10.1016\/j.mssp.2025.109849","volume":"199","author":"Ren","year":"2025","journal-title":"Mater. Sci. Semicond. Process."},{"key":"D6CP02841A\/cit21\/1","doi-asserted-by":"crossref","first-page":"3098","DOI":"10.1103\/PhysRevA.38.3098","volume":"38","author":"Becke","year":"1988","journal-title":"Phys. Rev. A:At., Mol., Opt. Phys."},{"key":"D6CP02841A\/cit22\/1","doi-asserted-by":"crossref","first-page":"1438","DOI":"10.1103\/PhysRevLett.66.1438","volume":"66","author":"Yang","year":"1991","journal-title":"Phys. Rev. Lett."},{"key":"D6CP02841A\/cit23\/1","doi-asserted-by":"crossref","first-page":"A1133","DOI":"10.1103\/PhysRev.140.A1133","volume":"140","author":"Kohn","year":"1965","journal-title":"Phys. Rev."},{"key":"D6CP02841A\/cit24\/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":"D6CP02841A\/cit25\/1","doi-asserted-by":"crossref","first-page":"1758","DOI":"10.1103\/PhysRevA.59.1758","volume":"59","author":"Kresse","year":"1999","journal-title":"Phys. Rev. A:At., Mol., Opt. Phys."},{"key":"D6CP02841A\/cit26\/1","doi-asserted-by":"crossref","first-page":"5029","DOI":"10.1063\/1.478401","volume":"110","author":"Ernzerhof","year":"1999","journal-title":"J. Chem. Phys."},{"key":"D6CP02841A\/cit27\/1","first-page":"11169","volume":"54","author":"Kresse","year":"1996","journal-title":"Phys. Rev. A:At., Mol., Opt. Phys."},{"key":"D6CP02841A\/cit28\/1","doi-asserted-by":"crossref","first-page":"26479","DOI":"10.1039\/D0RA03136D","volume":"10","author":"Jia","year":"2020","journal-title":"RSC Adv."},{"key":"D6CP02841A\/cit29\/1","first-page":"505503","volume":"31","author":"Dodson","year":"2019","journal-title":"J. Phys.:Condens. Matter"},{"key":"D6CP02841A\/cit30\/1","doi-asserted-by":"crossref","first-page":"235104","DOI":"10.1103\/PhysRevB.78.235104","volume":"78","author":"Lany","year":"2008","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D6CP02841A\/cit31\/1","doi-asserted-by":"crossref","first-page":"2339","DOI":"10.1103\/PhysRevLett.67.2339","volume":"67","author":"Zhang","year":"1991","journal-title":"Phys. Rev. Lett."},{"key":"D6CP02841A\/cit32\/1","doi-asserted-by":"crossref","first-page":"253","DOI":"10.1103\/RevModPhys.86.253","volume":"86","author":"Freysoldt","year":"2014","journal-title":"Rev. Mod. Phys."},{"key":"D6CP02841A\/cit33\/1","doi-asserted-by":"crossref","first-page":"016402","DOI":"10.1103\/PhysRevLett.102.016402","volume":"102","author":"Freysoldt","year":"2009","journal-title":"Phys. Rev. Lett."},{"key":"D6CP02841A\/cit34\/1","volume-title":"Handbook of nonlinear optical crystals","author":"Dmitriev","year":"2013","unstructured":"V. G.Dmitriev ,  G. G.Gurzadyan  and  D. N.Nikogosyan ,  Handbook of nonlinear optical crystals ,  Springer ,  2013"},{"key":"D6CP02841A\/cit35\/1","volume-title":"Crystal nonlinear optics: with SNLO examples","author":"Smith","year":"2018","unstructured":"A. V.Smith ,  Crystal nonlinear optics: with SNLO examples ,  AS-Photonics ,  Albuquerque, NM, USA ,  2018"},{"key":"D6CP02841A\/cit36\/1","doi-asserted-by":"crossref","first-page":"181101","DOI":"10.1063\/1.4948245","volume":"119","author":"Alkauskas","year":"2016","journal-title":"J. Appl. Phys."},{"key":"D6CP02841A\/cit37\/1","doi-asserted-by":"crossref","first-page":"127402","DOI":"10.1103\/PhysRevLett.91.127402","volume":"91","author":"Carr","year":"2003","journal-title":"Phys. Rev. Lett."},{"key":"D6CP02841A\/cit38\/1","doi-asserted-by":"crossref","first-page":"075114","DOI":"10.1103\/PhysRevB.83.075114","volume":"83","author":"Duchateau","year":"2011","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D6CP02841A\/cit39\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1146\/annurev-matsci-070317-124453","volume":"48","author":"Dreyer","year":"2018","journal-title":"Annu. Rev. Mater. Res."},{"key":"D6CP02841A\/cit40\/1","first-page":"01A201","volume":"29","author":"Schanovsky","year":"2011","journal-title":"J. Vac. Sci. Technol., B:Nanotechnol. Microelectron.:Mater., Process., Meas., Phenom."},{"key":"D6CP02841A\/cit41\/1","doi-asserted-by":"crossref","first-page":"267401","DOI":"10.1103\/PhysRevLett.109.267401","volume":"109","author":"Alkauskas","year":"2012","journal-title":"Phys. Rev. Lett."},{"key":"D6CP02841A\/cit42\/1","doi-asserted-by":"crossref","first-page":"108538","DOI":"10.1016\/j.optlastec.2022.108538","volume":"156","author":"Zhang","year":"2022","journal-title":"Opt. Laser Technol."},{"key":"D6CP02841A\/cit43\/1","doi-asserted-by":"crossref","first-page":"165998","DOI":"10.1016\/j.ijleo.2020.165998","volume":"227","author":"Baig","year":"2021","journal-title":"Optik"}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/CP\/article-pdf\/doi\/10.1039\/D6CP02841A\/0\/D6CP02841A.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T07:51:12Z","timestamp":1791964272000},"score":1,"resource":{"primary":{"URL":"http:\/\/pubs.rsc.org\/CP\/article-lookup\/doi\/10.1039\/D6CP02841A"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026]]},"references-count":43,"URL":"https:\/\/doi.org\/10.1039\/d6cp02841a","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026]]}}}