Certain doping concentrations caused half-metallic graphene

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dc.contributor.authorMiao, Lu
dc.contributor.authorJia, Ran
dc.contributor.authorWang, Yu
dc.contributor.authorKong, Chui-Peng
dc.contributor.authorWang, Jian
dc.contributor.authorEglitis, Roberts I.
dc.contributor.authorZhang, Hong-Xing
dc.date.accessioned2020-07-16T05:38:56Z
dc.date.available2020-07-16T05:38:56Z
dc.date.issued2017
dc.descriptionThis work is supported by National Natural Science Foundation of China (Grant No. 21173096).en_US
dc.description.abstractThe singly B and N doped graphene systems are carefully studied. The highly concentrated dopants cause a spin polarization effect in the systems. The spin polarization limits are affirmed in the singly B and N doped graphene systems through periodic hybrid density functional theory studies. The spin polarization effects must be considered indeed in the B and N doped graphene systems if the dopant concentration is above 3.1% and 1.4%, respectively. The system symmetry cooperating with the presence of the spin polarization brings half-metallic properties into the doping systems. The semiconducting channels in the half-metallic systems are in two different spin directions due to the different electron configurations of the B and N dopants in graphene.en_US
dc.description.sponsorshipNational Natural Science Foundation of China 21173096; Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART²en_US
dc.identifier.doi10.1016/j.jscs.2016.03.007
dc.identifier.issn1319-6103
dc.identifier.urihttps://dspace.lu.lv/dspace/handle/7/52387
dc.language.isoengen_US
dc.publisherElsevier B.V.en_US
dc.relationinfo:eu-repo/grantAgreement/EC/H2020/739508/EU/Centre of Advanced Material Research and Technology Transfer/CAMART²en_US
dc.relation.ispartofseriesJournal of Saudi Chemical Society;21 (1)
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectDopant concentrationen_US
dc.subjectHalf-metalen_US
dc.subjectSpin polarizationen_US
dc.subjectGrapheneen_US
dc.subjectResearch Subject Categories::NATURAL SCIENCES:Physicsen_US
dc.titleCertain doping concentrations caused half-metallic grapheneen_US
dc.typeinfo:eu-repo/semantics/articleen_US
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