Наукова електронна бібліотека
періодичних видань НАН України
періодичних видань НАН України
Electronic structure and magnetic properties of graphite intercalated with 3d-metals
Репозиторій DSpace/Manakin
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Electronic structure and magnetic properties of graphite intercalated with 3d-metals
Тема:
Низкотемпеpатуpный магнетизм
Інший ID:
PACS 71.20.Tx, 75.10.Lp, 75.30.Cr, 81.05.U
Посилання:
Electronic structure and magnetic properties of graphite intercalated with 3d-metals / G.E. Grechnev, A.A. Lyogenkaya, Yu.A. Kolesnichenko, Yu.I. Prylutskyy, R. Hayn // Физика низких температур. — 2014. — Т. 40, № 5. — С. 580-584. — Бібліогр.: 17 назв. — англ.
Підтримка:
This work was performed using computational facilities of grid-cluster ILTPE — B. Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine.
Дата:
2014
Переглядів:
652
Завантажень:
456
Анотація:
Electronic structure and magnetic properties of graphite-based systems with intercalated 3d-transition metal
atoms (V, Cr, Mn, Fe, Co, Ni) were calculated ab initio using the density functional theory. The presence of different magnetic states depending on the type of inserted M atoms is revealed for hexagonal P6/mmm and
P6
3/mmc crystall structures. The values of magnetic moments appeared to be governed by the p–d hybridization,
and by variations of exchange interactions with intercalation. The results of calculations clearly indicate itinerancy of the 3d-electrons of inserted M atoms.
