{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,7,30]],"date-time":"2025-07-30T10:59:55Z","timestamp":1753873195295,"version":"3.41.2"},"reference-count":16,"publisher":"AIP Publishing","issue":"17","content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2013,5,7]]},"abstract":"<jats:p>The electronic and magnetic properties of 6H-SiC with Mn impurities have been calculated using generalized gradient approximation formalism. Various configurations of Mn sites and Si and C vacancies were considered. It was found that 6H-SiC doped with Mn atoms possess a moment for both types of substitution. The Mn atom at Si site possesses larger magnetic moment than Mn atom at C site. The energy levels appearing in the band gap due to vacancies and due to Mn impurities are determined and the calculated densities of states are used to analyze the different values of the magnetic moments for different types of substitution. A model that explains the magnetic moment at Mn site is proposed.<\/jats:p>","DOI":"10.1063\/1.4798481","type":"journal-article","created":{"date-parts":[[2013,4,5]],"date-time":"2013-04-05T19:02:01Z","timestamp":1365188521000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":6,"title":["Model for Mn in 6H-SiC from first-principle studies"],"prefix":"10.1063","volume":"113","author":[{"given":"M.","family":"Al Azri","sequence":"first","affiliation":[{"name":"Department of Physics, College of Science, Sultan Qaboos University 1 , P.O. Box 36, Al-Khodh 123, Sultanate of Oman"}]},{"given":"M.","family":"Elzain","sequence":"additional","affiliation":[{"name":"Department of Physics, College of Science, Sultan Qaboos University 1 , P.O. Box 36, Al-Khodh 123, Sultanate of Oman"}]},{"given":"K.","family":"Bouziane","sequence":"additional","affiliation":[{"name":"P\u00f4le Energies Renouvelables Environnement et Etudes P\u00e9troli\u00e8res, Universit\u00e9 Internationale de Rabat 2 , Parc Technopolis Rabat-Shore, 11100 Sala El Jadida, Morocco"}]},{"given":"S. M.","family":"Ch\u00e9rif","sequence":"additional","affiliation":[{"name":"LSPM, CNRS-UPR 3407, Universit\u00e9 Paris 13, 99 Av. J.B. Cl\u00e9ment 3 , 93430 Villetaneuse, France"}]},{"given":"A.","family":"Decl\u00e9my","sequence":"additional","affiliation":[{"name":"PhyMat, CNRS UMR 6630, Universit\u00e9 de Poitiers 4 , Boulevard Marie et Pierre Curie SP2MI-T\u00e9l\u00e9port 2-BP 30179, F-86962 Futuroscope Chasseneuil Cedex, France"}]},{"given":"L.","family":"Thom\u00e9","sequence":"additional","affiliation":[{"name":"CSNSM-Orsay, B\u00e2t. 108, Universit\u00e9 d'Orsay 5 , F-91405 Orsay, France"}]}],"member":"317","published-online":{"date-parts":[[2013,4,4]]},"reference":[{"key":"2023070600114156700_c1","doi-asserted-by":"publisher","first-page":"35","DOI":"10.1002\/1521-3951(199707)202:1&lt;35::AID-PSSB35&gt;3.0.CO;2-8","volume":"202","year":"1997","journal-title":"Phys. Status Solidi B"},{"key":"2023070600114156700_c2","doi-asserted-by":"publisher","first-page":"195305","DOI":"10.1103\/PhysRevB.78.195305","volume":"78","year":"2008","journal-title":"Phys. Rev. B"},{"key":"2023070600114156700_c3","doi-asserted-by":"publisher","first-page":"579","DOI":"10.1116\/1.1465447","volume":"20","year":"2002","journal-title":"J. Vac. Sci. Technol. A"},{"key":"2023070600114156700_c4","doi-asserted-by":"publisher","first-page":"9881","DOI":"10.1088\/0953-8984\/18\/43\/010","volume":"18","year":"2006","journal-title":"J. Phys.: Condens. Matter"},{"key":"2023070600114156700_c5","doi-asserted-by":"publisher","first-page":"747","DOI":"10.4028\/www.scientific.net\/MSF.457-460.747","volume":"457\u2013460","year":"2004","journal-title":"Mater. Sci. Forum"},{"key":"2023070600114156700_c6","doi-asserted-by":"publisher","first-page":"111","DOI":"10.1016\/j.jmmm.2006.12.010","volume":"313","year":"2007","journal-title":"J. Magn. Magn. Mater."},{"key":"2023070600114156700_c7","doi-asserted-by":"publisher","first-page":"125204","DOI":"10.1103\/PhysRevB.68.125204","volume":"68","year":"2003","journal-title":"Phys. Rev. B"},{"key":"2023070600114156700_c8","doi-asserted-by":"publisher","first-page":"1761","DOI":"10.1088\/0953-8984\/16\/10\/008","volume":"16","year":"2004","journal-title":"J. Phys.: Condens. Matter"},{"key":"2023070600114156700_c9","doi-asserted-by":"publisher","first-page":"165204","DOI":"10.1103\/PhysRevB.76.165204","volume":"76","year":"2007","journal-title":"Phys. Rev. B"},{"key":"2023070600114156700_c10","doi-asserted-by":"publisher","first-page":"07C315","DOI":"10.1063\/1.3677870","volume":"111","year":"2012","journal-title":"J. Appl. Phys."},{"key":"2023070600114156700_c11","doi-asserted-by":"publisher","first-page":"216","DOI":"10.1063\/1.1336813","volume":"78","year":"2001","journal-title":"Appl. Phys. Lett."},{"key":"2023070600114156700_c12"},{"volume-title":"WIEN2k, An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties","year":"2001","key":"2023070600114156700_c13"},{"key":"2023070600114156700_c14","doi-asserted-by":"publisher","first-page":"D03","DOI":"10.1557\/PROC-1069-D03-01","volume":"1069","year":"2008","journal-title":"Mater. Res. Soc. Symp. Proc."},{"key":"2023070600114156700_c15","doi-asserted-by":"publisher","first-page":"107105","DOI":"10.1088\/1674-1056\/19\/10\/107105","volume":"19","year":"2010","journal-title":"Chin. Phys. B"},{"issue":"3","key":"2023070600114156700_c16","doi-asserted-by":"publisher","first-page":"309","DOI":"10.1209\/epl\/i1998-00475-5","volume":"44","year":"1998","journal-title":"Europhys. Lett."}],"container-title":["Journal of Applied Physics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.aip.org\/aip\/jap\/article-pdf\/doi\/10.1063\/1.4798481\/14075126\/17c305_1_online.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.aip.org\/aip\/jap\/article-pdf\/doi\/10.1063\/1.4798481\/14075126\/17c305_1_online.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,7,5]],"date-time":"2023-07-05T22:19:59Z","timestamp":1688595599000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.aip.org\/jap\/article\/113\/17\/17C305\/387363\/Model-for-Mn-in-6H-SiC-from-first-principle"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2013,4,4]]},"references-count":16,"journal-issue":{"issue":"17","published-print":{"date-parts":[[2013,5,7]]}},"URL":"https:\/\/doi.org\/10.1063\/1.4798481","relation":{},"ISSN":["0021-8979","1089-7550"],"issn-type":[{"type":"print","value":"0021-8979"},{"type":"electronic","value":"1089-7550"}],"subject":[],"published-other":{"date-parts":[[2013,5,7]]},"published":{"date-parts":[[2013,4,4]]},"article-number":"17C305"}}