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dc.contributor.authorZhang, Xuejing
dc.contributor.authorMi, Wenbo
dc.contributor.authorGuo, Zaibing
dc.contributor.authorCheng, Yingchun
dc.contributor.authorChen, Guifeng
dc.contributor.authorBai, Haili
dc.date.accessioned2015-08-03T11:37:15Z
dc.date.available2015-08-03T11:37:15Z
dc.date.issued2014
dc.identifier.issn20462069
dc.identifier.doi10.1039/c3ra43998d
dc.identifier.urihttp://hdl.handle.net/10754/563164
dc.description.abstractWe have investigated the electronic structure and magnetism of anion doped GdN1-yXy (X = B, C, O, F, P, S and As) systems by first-principles calculations based on density functional theory. GdN 1-yXy systems doped by O, C, F, P, and S atoms are more stable than those doped by B and As atoms because of relatively high binding energies. The anion doping and the N defect states modify the density of states at the Fermi level, resulting in a decrease in spin polarization and a slight increase in the magnetic moment at the Gd and N sites. © 2014 The Royal Society of Chemistry.
dc.description.sponsorshipThis work was supported by the National Natural Foundation of China (51172126), Key Project of Natural Foundation of Tianjin City (12JCZDJC27100), Program for New Century Excellent Talents in University (NCET-13-0409) and Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry.
dc.publisherRoyal Society of Chemistry (RSC)
dc.titleRole of anion doping on electronic structure and magnetism of GdN by first principles calculations
dc.typeArticle
dc.contributor.departmentAdvanced Nanofabrication and Thin Film Core Lab
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.contributor.departmentCore Labs
dc.identifier.journalRSC Adv.
dc.contributor.institutionTianjin Key Laboratory of Low Dimensional Materials Physics and Preparation Technology, Institute of Advanced Materials Physics, Tianjin University, Tianjin 300072, China
dc.contributor.institutionSchool of Material Science and Engineering, Hebei University of Technology, Tianjin 300130, China
kaust.personGuo, Zaibing
kaust.personCheng, Yingchun


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