IIUM Repository (IREP)

Theoretical investigation of a benzene-vanadium multiple-decked sandwich chain on a gold surface

Rahman, Md. Mamudur and Muhida, Rifki and Chowdhury, Md. Sazzad Hossien and Setiyanto, Henry and Zainuddin, Hishamuddin and Zakaria, Azmi and Kasai, Hideaki (2012) Theoretical investigation of a benzene-vanadium multiple-decked sandwich chain on a gold surface. Journal of Computational and Theoretical Nanoscience, 9 (8). pp. 1063-1066. ISSN 1546-1955 (P) 1546-1963 (O)

This is the latest version of this item.

[img]
Preview
PDF (Theoretical investigation of a benzene-vanadium multiple-decked ) - Published Version
Download (0B) | Preview

Abstract

We investigate the formation and magnetic properties of benzene-vanadium multipledecked sandwich chain on Au(111) surface using first principles calculations based on density functional theory. We show that in the formation of the chain on the surface, each of the two hydrogen atoms of benzene bonds with only one gold atom, while the carbon and vanadium atoms do not contribute to bonding. We find that this system has no magnetic moment where two vanadium atoms are antiferromagnetically arranged, for which we suggest a superexchange interaction mechanism.

Item Type: Article (Journal)
Additional Information: 5807/9487
Uncontrolled Keywords: Density functional theory; Benzene-vanadium multiple-decked sandwich chain; Antiferromagnetic order
Subjects: Q Science > QC Physics
Kulliyyahs/Centres/Divisions/Institutes: Kulliyyah of Engineering > Department of Science
Depositing User: Dr. Md Sazzad Hossien Chowdhury
Date Deposited: 13 Jan 2013 20:46
Last Modified: 13 Feb 2013 21:06
URI: http://irep.iium.edu.my/id/eprint/28506

Available Versions of this Item

Actions (login required)

View Item View Item

Downloads

Downloads per month over past year