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Certain doping concentrations caused half-metallic graphene
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نویسنده
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miao l. ,jia r. ,wang y. ,kong c.-p. ,wang j. ,eglitis r.i. ,zhang h.-x.
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منبع
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journal of saudi chemical society - 2017 - دوره : 21 - شماره : 1 - صفحه:111 -117
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چکیده
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The 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. © 2016 king saud university
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کلیدواژه
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Dopant concentration; Graphene; Half-metal; Spin polarization
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آدرس
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institute of theoretical chemistry,jilin university, China, institute of theoretical chemistry,jilin university, China, institute of theoretical chemistry,jilin university, China, institute of theoretical chemistry,jilin university, China, institute of theoretical chemistry,jilin university, China, institute of solid state physics,university of latvia,8 kengaraga str., Latvia, institute of theoretical chemistry,jilin university, China
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Authors
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