2020   04   en   p.11-14 S.S. Huseynova, S.O. Mammadova, A.A. Sadigova,
Ab initio calculation Al, Co, Sr doped graphene		  pdf 

ABSTRACT

This paper introduces the results of first-principle calculations of the electronic and magnetic properties of graphene doped by Al, Co, Sr. In according to theoretical calculations by doping Co and Al graphene energy gap is opened. Furthermore, substitution of the Sr atom for a carbon atom in graphene increases magnetization. In addition, density of state was explored for Al, Co, Sr atoms doping of the graphene structure.

Keywords: first-principle calculations, DFT, ATK, graphene, Al, Co, Sr-doped, supercell, DOS, magnetic moment.
PACS: 31.10. +z, 31.15.E-, 75.50.Gg.

Received: 27.10.2020

AUTHORS & AFFILIATIONS

Institute of Physics of ANAS, H.Javid ave., 131, AZ1143 Baku, Azerbaijan
E-mail: 		REFERENCIES

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