Proceedings of the Korean Vacuum Society Conference (한국진공학회:학술대회논문집)
- 2014.02a
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- Pages.180.2-180.2
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- 2014
Charge Transport Properties of Boron/Nitrogen Binary Doped Graphene Nanoribbons: An ab Initio Study
- Kim, Seong Sik (Graduate School of EEWS, KAIST) ;
- Kim, Han Seul (Graduate School of EEWS, KAIST) ;
- Kim, Hyo Seok (Graduate School of EEWS, KAIST) ;
- Kim, Yong Hoon (Graduate School of EEWS, KAIST)
- Published : 2014.02.10
Abstract
Opening a bandgap by forming graphene nanoribbons (GNRs) and tailoring their properties via doping is a promising direction to achieve graphene-based advanced electronic devices. Applying a first-principles computational approach combining density functional theory (DFT) and DFT-based non-equilibrium Green's function (NEGF) calculation, we herein study the structural, electronic, and charge transport properties of boron-nitrogen binary edge doped GNRs and show that it can achieve novel doping effects that are absent for the single B or N doping. For the armchair GNRs, we find that the B-N edge co-doping almost perfectly recovers the conductance of pristine GNRs. For the zigzag GNRs, it is found to support spatially and energetically spin-polarized currents in the absence of magnetic electrodes or external gate fields: The spin-up (spin-down) currents along the B-N undoped edge and in the valence (conduction) band edge region. This may lead to a novel scheme of graphene band engineering and benefit the design of graphene-based spintronic devices.
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