Screening effects on the field enhancement factor of zigzag graphene nanoribbon arrays: a first-principles study

Physical Chemistry Chemical Physics : PCCP
Han HuWan-Sheng Su

Abstract

The field screening effect on the electronic and field-emission properties of zigzag graphene nanoribbons (ZGNRs) has been studied using first-principles calculations. We have systematically investigated the effects of inter-ribbon distance and ribbon width on the work function, field enhancement factor, band gap and edge magnetism of zigzag graphene nanoribbons (ZGNRs). It is found that the work function of ZGNRs increases rapidly as the inter-ribbon distance Dx increases, which is caused by the positive dipole at the edge of the ribbon. For a given Dx, the work function of ZGNRs decreases as the ribbon width W increases. The wider the ribbon, the stronger the effect of inter-ribbon distance on the work function. Using a simple linear interpolation model, we can obtain the work function of ZGNRs of any ribbon-width. In the case of Dx < W, the field enhancement factor increases rapidly as the inter-ribbon distance increases. As we further increase Dx, the enhancement factor increases slowly and then tends toward saturation. The inter-ribbon distance of ZGNRs can modulate the magnitude of the band gap and edge magnetism. These observations can all be explained by the screening effect.

References

Dec 15, 1994·Physical Review. B, Condensed Matter·P E Blöchl
Oct 15, 1996·Physical Review. B, Condensed Matter·G Kresse, J Furthmüller
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Oct 23, 2004·Science·K S NovoselovA A Firsov
Jul 20, 2005·Proceedings of the National Academy of Sciences of the United States of America·K S NovoselovA K Geim
Nov 10, 2005·Nano Letters·H R GutiérrezP C Eklund
Nov 11, 2005·Nature·K S NovoselovA A Firsov
Dec 31, 2005·Physical Review Letters·C L Kane, E J Mele
Feb 21, 2006·Physical Review Letters·Vitor M PereiraA H Castro Neto
Apr 15, 2006·Science·Claire BergerWalt A de Heer
Jul 21, 2006·Nature·Sasha StankovichRodney S Ruoff
Nov 17, 2006·Nature·Young-Woo SonSteven G Louie
Dec 13, 2006·Physical Review Letters·Young-Woo SonSteven G Louie
Feb 17, 2007·Science·K S NovoselovA K Geim
Jul 14, 2007·Nano Letters·Oded HodGustavo E Scuseria
Aug 7, 2007·Physical Review Letters·T B MartinsA Fazzio
Aug 7, 2007·Physical Review Letters·Melinda Y HanPhilip Kim
Nov 13, 2007·Physical Review Letters·Li YangSteven G Louie
Sep 4, 2008·Physical Review Letters·G GiovannettiP J Kelly

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Software Mentioned

HSE06
LSDA
Vienna ab initio simulation package ( VASP )

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