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В работе методом функционала плотности проведены "ab initio"-расчеты электронного строения систем Gr/Ni(111) и Gr/Fe/Ni(111), содержащих различное число слоёв железа, интеркалированного под графен. Исследованы магнитные свойства и электронная структура данных интерфейсов. Определены парциальные и полные плотности состояний и зонные структуры.
"Ab initio" calculations of electronic structure of Gr/Ni(111) и Gr/Fe/Ni(111) systems were performed by the density functional method for different number of Fe atomic layers intercalated under graphene. Magnetic properties and electronic structure of the interfaces has been investigated. Partial and total densities of states were determined, as well as zone structures.
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