Theoretical study of small clusters of manganese-doped gallium oxide: Mn(GaO) n and Mn2(GaO) n with n = 1−7
نویسندگان
چکیده
منابع مشابه
Theoretical study of small clusters of manganese - doped gallium oxide : Mn ( GaO ) n and Mn 2 ( GaO ) n with n 5 1 2 7
Structures, electronic and magnetic properties of Mn and Mn2 doped stoichiometric (GaO)n clusters with n = 1-7 are studied in the framework of density functional theory. Doping of a Mn atom is found to be energetically favorable in (GaO)n clusters and the equilibrium configurations are found to be determined by the metal–oxygen interactions. Mn prefers to maximize the number of Mn–O bonds by se...
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ژورنال
عنوان ژورنال: Journal of Nanoparticle Research
سال: 2010
ISSN: 1388-0764,1572-896X
DOI: 10.1007/s11051-010-9871-z