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...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2021-02-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0032813 |
| Summary: | 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. |
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| ISSN: | 2158-3226 |