Graphene Nanoribbons Transport Properties Calculation

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

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DOI - Digital Object Identifier

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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

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Czech description

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Type

D - Article in proceedings

CEP classification

BM - Solid-state physics and magnetism

OECD FORD branch

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Project

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Continuities

Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2010

Confidentiality

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

Article name in the collection

NANOCON 2010 WoS

ISBN

978-80-87294-19-2

ISSN

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e-ISSN

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Number of pages

6

Pages from-to

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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

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