Electronic structure and magnetic properties of graphite intercalated with 3d-metals
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 f...
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| Date: | 2014 |
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| Main Authors: | , , , , |
| Format: | Article |
| Language: | English |
| Published: |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
2014
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| Series: | Физика низких температур |
| Subjects: | |
| Online Access: | https://nasplib.isofts.kiev.ua/handle/123456789/119495 |
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| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | 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. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| Summary: | 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. |
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