Title
Electronic and magnetic properties of 1T-<tex>$TiSe_{2}$</tex> nanoribbons Electronic and magnetic properties of 1T-<tex>$TiSe_{2}$</tex> nanoribbons
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Bristol :IOP Publishing ,
Subject
Physics
Source (journal)
2D materials. - Bristol, 2014, currens
Volume/pages
2(2015) :4 , 9 p.
ISSN
2053-1583
2053-1583
Article Reference
044002
Carrier
E-only publicatie
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
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 armchair-edged 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 angstrom. 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 armchair 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.
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