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Tension-Tailored Electronic and Magnetic Switching of 2D Ti2NO2
Chen W.2; Li H.-F.2; Shi X.1; Pan H.2
2017-11-22
Source PublicationJournal of Physical Chemistry C
ISSN19327455 19327447
Volume121Issue:46Pages:25729-25735
Abstract

Two-dimensional (2D) nanomaterials with tunable electronic and magnetic properties are promising for their versatile applications in multifunctional devices. In this work, we present a first-principles study on the electronic and magnetic transitions of 2D TiNO monolayer achieved by applying tension. We show that 2D TiNO experiences a transition from ferromagnetic half-metal to antiferromagnetic semiconductor as tension increases up to a certain level. We find that charge redistribution occurs with the extension of bond length due to the suppressed crystal field splitting. We further show that the charge transfer between e and t orbitals gives rise to the shift of the energy levels and opens a gap near the Fermi level, resulting in the electronic transition. The semiconducting nature favors the superexchange coupling, leading to the magnetic transition from the ferromagnetic state to the antiferromagnetic state. We expect that the 2D TiNO monolayer with tunable electronic and magnetic properties may find applications in nanodevices, such as spintronics and sensors.

DOI10.1021/acs.jpcc.7b08496
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaChemistry ; Materials Science ; Science & Technology - Other Topics
WOS SubjectChemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS IDWOS:000416496200013
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Cited Times [WOS]:18   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Affiliation1.Southern University of Science and Technology
2.Universidade de Macau
First Author AffilicationUniversity of Macau
Recommended Citation
GB/T 7714
Chen W.,Li H.-F.,Shi X.,et al. Tension-Tailored Electronic and Magnetic Switching of 2D Ti2NO2[J]. Journal of Physical Chemistry C,2017,121(46):25729-25735.
APA Chen W.,Li H.-F.,Shi X.,&Pan H..(2017).Tension-Tailored Electronic and Magnetic Switching of 2D Ti2NO2.Journal of Physical Chemistry C,121(46),25729-25735.
MLA Chen W.,et al."Tension-Tailored Electronic and Magnetic Switching of 2D Ti2NO2".Journal of Physical Chemistry C 121.46(2017):25729-25735.
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