The origin of half-metallicity in conjugated electron systems—a study on transition-metal-doped graphyne
نویسندگان
چکیده
منابع مشابه
The origin of half-metallicity in conjugated electron systems--a study on transition-metal-doped graphyne.
We studied the mechanism of half-metallicity (HM) formation in transition-metal-doped conjugated carbon based structures by first-principles electronic structure simulations. It is found that the HM is a rather complex phenomenon, determined by the ligand field splitting of d-orbitals of the transition metal atoms, the exchange splitting and the number of valence electrons. Since most of the co...
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ژورنال
عنوان ژورنال: Journal of Physics: Condensed Matter
سال: 2013
ISSN: 0953-8984,1361-648X
DOI: 10.1088/0953-8984/25/50/505502