Electronic structure and magnetic properties of graphite intercalated with 3d-metals

Автор(и)

  • G.E. Grechnev B. Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine 47 Lenin Ave., Kharkov 61103, Ukraine
  • A.A. Lyogenkaya B. Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine 47 Lenin Ave., Kharkov 61103, Ukraine
  • Yu.A. Kolesnichenko B. Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine 47 Lenin Ave., Kharkov 61103, Ukraine
  • Yu.I. Prylutskyy Taras Shevchenko National University of Kyiv, Kyiv, 01601 Ukraine
  • Roland Hayn Universite d’Aix-Marseille, IM2NP, 13397 Marseille Cedex 20, France

DOI:

https://doi.org/10.1063/1.4876224%20

Ключові слова:

intercalated graphite, electronic structure, magnetic moments, MC6.

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 P63/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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Опубліковано

2014-03-14

Як цитувати

(1)
Grechnev, G.; Lyogenkaya, A.; Kolesnichenko, Y.; Prylutskyy, Y.; Hayn, R. Electronic Structure and Magnetic Properties of Graphite Intercalated With 3d-Metals. Fiz. Nizk. Temp. 2014, 40, 580-584.

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Низькотемпературний магнетизм

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