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Graphene Nanoribbons Transport Properties Calculation

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F10%3A00177437" target="_blank" >RIV/68407700:21230/10:00177437 - isvavai.cz</a>

  • Result on the web

  • DOI - Digital Object Identifier

Alternative languages

  • Result language

    angličtina

  • Original language name

    Graphene Nanoribbons Transport Properties Calculation

  • Original language description

    We performed density-functional theory (DFT) based calculations to obtain electronic structure of both zig-zag and armchair GNRs with lateral constrictions. The spin-dependent exchange-correlation potential is approximated within the generalized gradientapproximation using the QuantumWise toolkit ATK, which employs local numerical double-zeta polarized basis orbitals. The spin-dependent transport properties of the electrode-device-electrode geometry were calculated by means of non-equilibrium Green's function formalism as implemented in ATK. Band structures calculated by the DFT were compared with results of the semi-empirical method (Extended Huckel model). Our results show that GNRs with the constrictions exhibit novel transport properties. The horizontal layout of the GNR constrictions determines main features important for electrical and spintronic applications of these structures.

  • Czech name

  • Czech description

Classification

  • Type

    D - Article in proceedings

  • CEP classification

    BM - Solid-state physics and magnetism

  • OECD FORD branch

Result continuities

  • Project

  • Continuities

    Z - Vyzkumny zamer (s odkazem do CEZ)

Others

  • Publication year

    2010

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Article name in the collection

    NANOCON 2010 WoS

  • ISBN

    978-80-87294-19-2

  • ISSN

  • e-ISSN

  • Number of pages

    6

  • Pages from-to

  • Publisher name

    TANGER, spol.s r.o

  • Place of publication

    Ostrava

  • Event location

    Olomouc

  • Event date

    Oct 12, 2010

  • Type of event by nationality

    EUR - Evropská akce

  • UT code for WoS article