Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/5833
Title: Electronic and magnetic properties of 1T-TiSe2 nanoribbons
Authors: Özaydın, H. Duygu
Şahin, Hasan
Kang, J.
Peeters, François M.
Şenger, Ramazan Tuğrul
Keywords: TiSe2
Nanoribbons
Transition metal dichalcogenides
Issue Date: Oct-2015
Publisher: IOP Publishing Ltd.
Source: Özaydın, H.D., Şahin, H., Kang, J., Peeters, F.M., and Senger, R.T. (2015). Electronic and magnetic properties of 1T-TiSe2 nanoribbons. 2D Materials, 2(4). doi:10.1088/2053-1583/2/4/044002
Abstract: Motivated by the recent synthesis of single layer TiSe2,we used state-of-the-art density functional theory calculations, to investigate the structural and electronic properties of zigzag and armchairedged nanoribbons (NRs) of this material. Our analysis reveals that, differing from ribbons of other ultra-thin materials such as graphene, TiSe2 NRs have some distinctive properties. The electronic band gap of the NRs decreases exponentially with the width and vanishes for ribbons wider than 20 Å. For ultranarrow zigzag-edged NRs we find odd-even oscillations in the band gap width, although their band structures show similar features. Moreover, our detailed magnetic-ground-state analysis reveals that zigzag and arm chair edged ribbons have non-magnetic ground states. Passivating the dangling bonds with hydrogen at the edges of the structures influences the band dispersion. Our results shed light on the characteristic properties of T phase NRs of similar crystal structures.
URI: https://doi.org/10.1088/2053-1583/2/4/044002
http://hdl.handle.net/11147/5833
ISSN: 2053-1583
2053-1583
Appears in Collections:Physics / Fizik
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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