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Electronic and magnetic properties of vanadium dichalcogenides monolayers tuned by hydrogenation
Pan H.
Source PublicationJournal of Physical Chemistry C

First-principles calculations based on density-functional theory are carried out to systematically investigate the effects of hydrogenation on the electronic and magnetic properties of vanadium dichalcogenides (VX2, X = S, Se, and Te) monolayers. We find that semimetallic and ferromagnetic VX2 monolayers can be tuned to be nonmagnetic/antiferromagnetic and intrinsically semiconducting by functionalizing with hydrogen atoms on one of their surfaces, and ferromagnetic/antiferromagnetic and n-type semiconducting when both of their two surfaces are fully covered by hydrogen atoms. The ferromagnetism and antiferromagnetism are contributed to carrier-mediated double-exchange and superexchange, respectively. Ferromagnetism is obtained in semimetallic or lightly doped semiconducting monolayers due to double-exchange of localized spins with static localized states, while antiferromagnetism can be achieved in intrinsic or heavily doped semiconducting monolayer duo to the superexchange interaction. These vanadium dichalcogenides monolayers with hydrogenation may apply to nanodevices, sensors, and spintronics. © 2014 American Chemical Society.

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Indexed BySCI
WOS Research AreaChemistry ; Materials Science ; Science & Technology - Other Topics
WOS SubjectChemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS IDWOS:000337783900072
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Cited Times [WOS]:58   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
AffiliationUniv Macau, Fac Sci & Technol, Inst Appl Phys & Mat Engn, Macau, Peoples R China.
Recommended Citation
GB/T 7714
Pan H.. Electronic and magnetic properties of vanadium dichalcogenides monolayers tuned by hydrogenation[J]. Journal of Physical Chemistry C,2014,118(24):13248.
APA Pan H..(2014).Electronic and magnetic properties of vanadium dichalcogenides monolayers tuned by hydrogenation.Journal of Physical Chemistry C,118(24),13248.
MLA Pan H.."Electronic and magnetic properties of vanadium dichalcogenides monolayers tuned by hydrogenation".Journal of Physical Chemistry C 118.24(2014):13248.
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