Edge-state magnetism in hydrogenated armchair carbon nanotubes

Kyu Won Lee, Cheol Eui Lee

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

We have investigated the antiferromagnetic edge states in hydrogenated carbon nanotubes by using the density functional theory calculations. The total energy difference between the antiferromagnetic and ferromagnetic states, corresponding to the exchange energy gain stabilizing the antiferromagnetic state, changes by an order of magnitude by controlling the hydrogen adsorption pattern and is nearly independent of the nanotube size for a properly chosen pattern, indicating that the antiferromagnetic edge states in the real size nanotubes can be realized at high temperatures. The coexisting zigzag and bearded edges in the hydrogenated CNTs are believed to enhance the exchange energy gain.

Original languageEnglish
Pages (from-to)1783-1787
Number of pages5
JournalCurrent Applied Physics
Volume14
Issue number12
DOIs
Publication statusPublished - 2014 Jan 1

Fingerprint

Carbon Nanotubes
Magnetism
Nanotubes
Carbon nanotubes
carbon nanotubes
nanotubes
energy transfer
Density functional theory
Hydrogen
Adsorption
density functional theory
adsorption
hydrogen
Temperature
energy

ASJC Scopus subject areas

  • Materials Science(all)
  • Physics and Astronomy(all)

Cite this

Edge-state magnetism in hydrogenated armchair carbon nanotubes. / Lee, Kyu Won; Lee, Cheol Eui.

In: Current Applied Physics, Vol. 14, No. 12, 01.01.2014, p. 1783-1787.

Research output: Contribution to journalArticle

@article{2f0e3e3bbcfb4c75834479946cfbc3aa,
title = "Edge-state magnetism in hydrogenated armchair carbon nanotubes",
abstract = "We have investigated the antiferromagnetic edge states in hydrogenated carbon nanotubes by using the density functional theory calculations. The total energy difference between the antiferromagnetic and ferromagnetic states, corresponding to the exchange energy gain stabilizing the antiferromagnetic state, changes by an order of magnitude by controlling the hydrogen adsorption pattern and is nearly independent of the nanotube size for a properly chosen pattern, indicating that the antiferromagnetic edge states in the real size nanotubes can be realized at high temperatures. The coexisting zigzag and bearded edges in the hydrogenated CNTs are believed to enhance the exchange energy gain.",
keywords = "Antiferromagnetic edge states, Density functional theory, Exchange energy, Hydrogenated carbon nanotubes",
author = "Lee, {Kyu Won} and Lee, {Cheol Eui}",
year = "2014",
month = "1",
day = "1",
doi = "10.1016/j.cap.2014.09.029",
language = "English",
volume = "14",
pages = "1783--1787",
journal = "Current Applied Physics",
issn = "1567-1739",
publisher = "Elsevier",
number = "12",

}

TY - JOUR

T1 - Edge-state magnetism in hydrogenated armchair carbon nanotubes

AU - Lee, Kyu Won

AU - Lee, Cheol Eui

PY - 2014/1/1

Y1 - 2014/1/1

N2 - We have investigated the antiferromagnetic edge states in hydrogenated carbon nanotubes by using the density functional theory calculations. The total energy difference between the antiferromagnetic and ferromagnetic states, corresponding to the exchange energy gain stabilizing the antiferromagnetic state, changes by an order of magnitude by controlling the hydrogen adsorption pattern and is nearly independent of the nanotube size for a properly chosen pattern, indicating that the antiferromagnetic edge states in the real size nanotubes can be realized at high temperatures. The coexisting zigzag and bearded edges in the hydrogenated CNTs are believed to enhance the exchange energy gain.

AB - We have investigated the antiferromagnetic edge states in hydrogenated carbon nanotubes by using the density functional theory calculations. The total energy difference between the antiferromagnetic and ferromagnetic states, corresponding to the exchange energy gain stabilizing the antiferromagnetic state, changes by an order of magnitude by controlling the hydrogen adsorption pattern and is nearly independent of the nanotube size for a properly chosen pattern, indicating that the antiferromagnetic edge states in the real size nanotubes can be realized at high temperatures. The coexisting zigzag and bearded edges in the hydrogenated CNTs are believed to enhance the exchange energy gain.

KW - Antiferromagnetic edge states

KW - Density functional theory

KW - Exchange energy

KW - Hydrogenated carbon nanotubes

UR - http://www.scopus.com/inward/record.url?scp=84908388682&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84908388682&partnerID=8YFLogxK

U2 - 10.1016/j.cap.2014.09.029

DO - 10.1016/j.cap.2014.09.029

M3 - Article

VL - 14

SP - 1783

EP - 1787

JO - Current Applied Physics

JF - Current Applied Physics

SN - 1567-1739

IS - 12

ER -