Density functional theory investigation of one-dimensional organic-metallic multiple-decked sandwich model

College

College of Science

Department/Unit

Physics

Document Type

Article

Source Title

Shinku/Journal of the Vacuum Society of Japan

Volume

48

Issue

3

First Page

232

Last Page

234

Publication Date

1-1-2005

Abstract

We investigate electric and magnetic properties of a benzene-iron complex chain [Fe(C6H6)]∞. By performing first principles calculation based on the spin-polarized density functional theory, we find that this system shows semiconducting behavior having magnetic moment. We also show that this system is stable due to the Fe atom.

html

Digitial Object Identifier (DOI)

10.3131/jvsj.48.232

Disciplines

Physics

Keywords

Organometallic compounds—Magnetic properties; Organometallic compounds—Electric properties; Density functionals

Upload File

wf_no

This document is currently not available here.

Share

COinS