2015
DOI: 10.1039/c5nr05736a
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Tailoring the transmission lineshape spectrum of zigzag graphene nanoribbon based heterojunctions via controlling their width and edge protrusions

Abstract: We report a first-principles analysis of electron transport through narrow zigzag graphene nanoribbon (up to 2.2 nm) based wedge-shaped heterojunctions. We show that the width difference between the electrode and the scattering region and the edge protrusion of heterojunctions can be tuned to endow the system's transmission spectrum with distinctive features. In particular, transport through junctions with a one sided protrusion in the scattering region is always dominated by a Breit-Wigner-type resonance righ… Show more

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Cited by 11 publications
(3 citation statements)
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“…A closer inspection of the profile of spin down transmission dips reveals a close resemblance to that of Fano-type asymmetrical line shape, comprising a resonant peak followed by an antiresonance. Fano antiresonance is observed when a localized state interacts with a continuum of extended states. To demonstrate that the Fano antiresonance is associated with the localized states, we examined the PDOS spectrum. PDOS analysis reveals that these transmission dips are associated with strongly localized DOS peaks near Fermi level arising from the edge carbon atoms (Figure S10).…”
Section: Resultsmentioning
confidence: 69%
“…A closer inspection of the profile of spin down transmission dips reveals a close resemblance to that of Fano-type asymmetrical line shape, comprising a resonant peak followed by an antiresonance. Fano antiresonance is observed when a localized state interacts with a continuum of extended states. To demonstrate that the Fano antiresonance is associated with the localized states, we examined the PDOS spectrum. PDOS analysis reveals that these transmission dips are associated with strongly localized DOS peaks near Fermi level arising from the edge carbon atoms (Figure S10).…”
Section: Resultsmentioning
confidence: 69%
“…LDOS at E f , shown in the insets, possess significant weight only on the outmost edges of the molecule and the edges of the ZGNR electrodes across the whole junction, indicating that the transmission peak at E f originates from the electrode edge states rather than the molecular one. In first-principles studies , and tight-binding approach including second-nearest-neighbor interaction, transmission peaks are observed at E f , where the flat bands at E f are slightly bent and more than one band across E f contribute to different conducting channels. Here, the scaling rule of G 2 ≈ 2 G 1 is the evaluation of decaying behavior of the electrode edge states across the junction rather than the intrinsic conduction nature of PA molecules.…”
Section: Resultsmentioning
confidence: 99%
“…Although this kind of GNR HJs had been investigated and used in TFET designs theoretically, the realization was not an easy task, because of the bad band width control ability in GNR technologies. Besides, this HJ constructing method was also controversial in simulations since the eigenstates in one segment might penetrate into the others . Until 2015, Chen et al.…”
Section: Heterojunction Constructionmentioning
confidence: 99%