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

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

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...

Full description

Saved in:
Bibliographic Details
Main Authors: Rahman, Md Mahmudur, Muhida, Rifki, Diño, Wilson Agerico, Nakanishi, Hiroshi, Kasai, Hideaki
Format: text
Published: Animo Repository 2005
Subjects:
Organometallic compounds—Magnetic properties
Organometallic compounds—Electric properties
Density functionals
Physics
Online Access:https://animorepository.dlsu.edu.ph/faculty_research/4554
Tags: Add Tag
No Tags, Be the first to tag this record!
Institution: De La Salle University
id oai:animorepository.dlsu.edu.ph:faculty_research-5337
record_format eprints
spelling oai:animorepository.dlsu.edu.ph:faculty_research-53372022-05-11T03:25:54Z Density functional theory investigation of one-dimensional organic-metallic multiple-decked sandwich model Rahman, Md Mahmudur Muhida, Rifki Diño, Wilson Agerico Nakanishi, Hiroshi Kasai, Hideaki 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. 2005-01-01T08:00:00Z text https://animorepository.dlsu.edu.ph/faculty_research/4554 info:doi/10.3131/jvsj.48.232 Faculty Research Work Animo Repository Organometallic compounds—Magnetic properties Organometallic compounds—Electric properties Density functionals Physics
institution De La Salle University
building De La Salle University Library
continent Asia
country Philippines
Philippines
content_provider De La Salle University Library
collection DLSU Institutional Repository
topic Organometallic compounds—Magnetic properties
Organometallic compounds—Electric properties
Density functionals
Physics
spellingShingle Organometallic compounds—Magnetic properties
Organometallic compounds—Electric properties
Density functionals
Physics
Rahman, Md Mahmudur
Muhida, Rifki
Diño, Wilson Agerico
Nakanishi, Hiroshi
Kasai, Hideaki
Density functional theory investigation of one-dimensional organic-metallic multiple-decked sandwich model
description 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.
format text
author Rahman, Md Mahmudur
Muhida, Rifki
Diño, Wilson Agerico
Nakanishi, Hiroshi
Kasai, Hideaki
author_facet Rahman, Md Mahmudur
Muhida, Rifki
Diño, Wilson Agerico
Nakanishi, Hiroshi
Kasai, Hideaki
author_sort Rahman, Md Mahmudur
title Density functional theory investigation of one-dimensional organic-metallic multiple-decked sandwich model
title_short Density functional theory investigation of one-dimensional organic-metallic multiple-decked sandwich model
title_full Density functional theory investigation of one-dimensional organic-metallic multiple-decked sandwich model
title_fullStr Density functional theory investigation of one-dimensional organic-metallic multiple-decked sandwich model
title_full_unstemmed Density functional theory investigation of one-dimensional organic-metallic multiple-decked sandwich model
title_sort density functional theory investigation of one-dimensional organic-metallic multiple-decked sandwich model
publisher Animo Repository
publishDate 2005
url https://animorepository.dlsu.edu.ph/faculty_research/4554
_version_ 1767196111249866752

Similar Items