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Park, Noejung
Computational Physics & Electronic Structure Lab
Research Interests
  • Electronic structure calculation, computational physics, computational material science

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Effects of encapsulated metallofullerene on the Fermi level alignment at the metal-nanotube interface

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Title
Effects of encapsulated metallofullerene on the Fermi level alignment at the metal-nanotube interface
Author
Sung, DongchulPark, Noejung
Keywords
Carbon nanotube; Fullerene; Nanoelectronics; Schottky barrier; Transistor
Issue Date
2007-03
Publisher
KOREAN PHYSICAL SOC
Citation
JOURNAL OF THE KOREAN PHYSICAL SOCIETY, v.50, no.3, pp.708 - 711
Abstract
We perform ab initio electronic structure calculations for the metal-carbon nanotube (CNT) interfaces with encapsulated fullerenes (C82) or metallofullerenes (La@C82). Gold and aluminum layers are chosen as typical examples of metals with a large work function and a small work function, respectively. It is found that the encapsulation of the fullerene species can affect the Schottky barrier height at the metal-CNT interface. We show that the fullerene-derived localized state could weakly pin the metal Fermi level in the gap of the nanotube. We suggest that the transport properties of the metallofullerene-encapsulated CNT should be explained in terms of the Schottky barrier adjustment rather than the band gap reduction model whose validity has been debated in recent publications.
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ISSN
0374-4884
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PHY_Journal Papers
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