First principles investigation of structural, electronic, and room temperature ferromagnetism in V doped hexagonal pristine graphene

First principles investigation of structural, electronic, and room temperature ferromagnetism in V doped hexagonal pristine graphene

The structural, electronic, and magnetic properties of V doped graphene were investigated using density functional theory. The formation energy calculation indicates that V doped graphene is stable and the V atoms are strongly hybridized with C atoms. The present study revealed that the bandgap of g...

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Main Authors: Sintayehu Mekonnen Hailemariam, Akililu Esayas Enna
Format: Article
Language:English
Published: AIP Publishing LLC 2021-02-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/5.0032813
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spelling doaj-4045e1ea9fd1499195a45e73792b64cb2021-03-02T21:48:04ZengAIP Publishing LLCAIP Advances2158-32262021-02-01112025217025217-610.1063/5.0032813First principles investigation of structural, electronic, and room temperature ferromagnetism in V doped hexagonal pristine grapheneSintayehu Mekonnen Hailemariam0Akililu Esayas Enna1Department of Physics, Arba Minch University, P.O. Box 21, Arba Minch, EthiopiaDepartment of Physics, Arba Minch University, P.O. Box 21, Arba Minch, EthiopiaThe structural, electronic, and magnetic properties of V doped graphene were investigated using density functional theory. The formation energy calculation indicates that V doped graphene is stable and the V atoms are strongly hybridized with C atoms. The present study revealed that the bandgap of graphene is open in the presence of the V dopant. Moreover, the obtained magnetic moment and analysis of total density of states show that V doped graphene displays ferromagnetism. The calculated ferromagnetic transition temperature (Tc) value for a V concentration of 6.25% is 377 K. The findings are avenues to enhance the application of graphene for spintronics.http://dx.doi.org/10.1063/5.0032813
collection DOAJ
language English
format Article
sources DOAJ
author Sintayehu Mekonnen Hailemariam
Akililu Esayas Enna
spellingShingle Sintayehu Mekonnen Hailemariam
Akililu Esayas Enna
First principles investigation of structural, electronic, and room temperature ferromagnetism in V doped hexagonal pristine graphene
AIP Advances
author_facet Sintayehu Mekonnen Hailemariam
Akililu Esayas Enna
author_sort Sintayehu Mekonnen Hailemariam
title First principles investigation of structural, electronic, and room temperature ferromagnetism in V doped hexagonal pristine graphene
title_short First principles investigation of structural, electronic, and room temperature ferromagnetism in V doped hexagonal pristine graphene
title_full First principles investigation of structural, electronic, and room temperature ferromagnetism in V doped hexagonal pristine graphene
title_fullStr First principles investigation of structural, electronic, and room temperature ferromagnetism in V doped hexagonal pristine graphene
title_full_unstemmed First principles investigation of structural, electronic, and room temperature ferromagnetism in V doped hexagonal pristine graphene
title_sort first principles investigation of structural, electronic, and room temperature ferromagnetism in v doped hexagonal pristine graphene
publisher AIP Publishing LLC
series AIP Advances
issn 2158-3226
publishDate 2021-02-01
description The structural, electronic, and magnetic properties of V doped graphene were investigated using density functional theory. The formation energy calculation indicates that V doped graphene is stable and the V atoms are strongly hybridized with C atoms. The present study revealed that the bandgap of graphene is open in the presence of the V dopant. Moreover, the obtained magnetic moment and analysis of total density of states show that V doped graphene displays ferromagnetism. The calculated ferromagnetic transition temperature (Tc) value for a V concentration of 6.25% is 377 K. The findings are avenues to enhance the application of graphene for spintronics.
url http://dx.doi.org/10.1063/5.0032813
work_keys_str_mv AT sintayehumekonnenhailemariam firstprinciplesinvestigationofstructuralelectronicandroomtemperatureferromagnetisminvdopedhexagonalpristinegraphene
AT akililuesayasenna firstprinciplesinvestigationofstructuralelectronicandroomtemperatureferromagnetisminvdopedhexagonalpristinegraphene
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