Density functional study of spin polarization on a carbon material with a hexagonal structure induced by iron atoms

Muhida, R. and Rahman, M. M. and Chowdhury, Md. Sazzad Hossien and Setiyanto, H. and Zainuddin, H. and Azmi, B. Z. and Kasai, H. (2014) Density functional study of spin polarization on a carbon material with a hexagonal structure induced by iron atoms. Journal of Computational and Theoretical Nanoscience, 11 (1). pp. 58-61. ISSN 1546-1955 (P) 1546-1963 (O)

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Abstract

We investigate the spin polarization of a non magnetic material, e.g., a carbon material made from ten C atoms forming a hexagonal structure with total spin S = 0, induced by a ferromagnetic material, e.g., two Fe atoms with a total spin S = 4. Based on the density functional theory, we calculate the total spin density of the system. Our preliminary results show that the total spin for the ten C atoms changes from S = 0 to S = 4, while the total spin of the two Fe atoms changes from S = 4 to S =0. These results seem to indicate that there is a promising possibility to induce spin polarization on a carbon material by Fe atoms.

Item Type:	Article (Journal)
Additional Information:	5807/38611
Uncontrolled Keywords:	Spin Polarization, Carbon Material, Density Functional Theory, Scanning Tunneling Microscopy, Ferromagnetic Material.
Subjects:	Q Science > QC Physics
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button):	Kulliyyah of Engineering > Department of Science
Depositing User:	Dr. Md Sazzad Hossien Chowdhury
Date Deposited:	07 Oct 2014 15:55
Last Modified:	19 Sep 2017 14:56
URI:	http://irep.iium.edu.my/id/eprint/38611

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