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Tension-Tailored Electronic and Magnetic Switching of 2D Ti2NO2
Chen, WZ; Li, H.; Shi, XQ; Pan, H.
2017-11-22
Source PublicationJournal of Physical Chemistry C
ISSN1932-7447
Pages25729-25735
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 Ti2NO2 monolayer achieved by applying tension. We show that 2D Ti2NO2 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 eg and t2g 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 Ti2NO2 monolayer with tunable electronic and magnetic properties may find applications in nanodevices, such as spintronics and sensors.

Keyword2d Ti2no2 Monolayer Electronic And Magnetic Switching
DOI10.1021/acs.jpcc.7b08496
URLView the original
Language英語English
WOS IDWOS:000416496200013
The Source to ArticlePB_Publication
Scopus ID2-s2.0-85035342157
Fulltext Access
Citation statistics
Document TypeJournal article
CollectionDEPARTMENT OF PHYSICS AND CHEMISTRY
Corresponding AuthorLi, H.; Pan, H.
Recommended Citation
GB/T 7714
Chen, WZ,Li, H.,Shi, XQ,et al. Tension-Tailored Electronic and Magnetic Switching of 2D Ti2NO2[J]. Journal of Physical Chemistry C, 2017, 25729-25735.
APA Chen, WZ., Li, H.., Shi, XQ., & Pan, H. (2017). Tension-Tailored Electronic and Magnetic Switching of 2D Ti2NO2. Journal of Physical Chemistry C, 25729-25735.
MLA Chen, WZ,et al."Tension-Tailored Electronic and Magnetic Switching of 2D Ti2NO2".Journal of Physical Chemistry C (2017):25729-25735.
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