First-principles approach to the electron transport and applications for devices based on carbon nanotubes and ultrathin oxides

Yong Ju Kang; Joongoo Kang; Yong Hoon Kim; Kee Joo Chang

doi:10.1016/j.cpc.2007.02.031

First-principles approach to the electron transport and applications for devices based on carbon nanotubes and ultrathin oxides

Yong Ju Kang
, Joongoo Kang
, Yong Hoon Kim
, Kee Joo Chang

Department of Physics and Chemistry

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

We use a first-principles computational scheme to study the transport properties of devices based on telescoping carbon nanotubes. The transmission function is calculated through the matrix Green's function method using a Gaussian basis set. Varying the overlap region of the two nanotubes, we compare the effect of interwall interactions on the transport characteristics with that obtained from a simple tight-binding model. The leakage current through ultrathin gate oxides is also studied for various Si/SiO₂ interface models, which are manipulated by varying oxide thickness and crystal phase.

Original language	English
Pages (from-to)	30-33
Number of pages	4
Journal	Computer Physics Communications
Volume	177
Issue number	1-2 SPEC. ISS.
DOIs	https://doi.org/10.1016/j.cpc.2007.02.031
State	Published - Jul 2007

Bibliographical note

Funding Information:
This work was supported by the Korea Ministry of Commerce, Industry and Energy and by the Star-Faculty project.

Keywords

Matrix Green's function
Quantum transport

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10.1016/j.cpc.2007.02.031

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title = "First-principles approach to the electron transport and applications for devices based on carbon nanotubes and ultrathin oxides",

abstract = "We use a first-principles computational scheme to study the transport properties of devices based on telescoping carbon nanotubes. The transmission function is calculated through the matrix Green's function method using a Gaussian basis set. Varying the overlap region of the two nanotubes, we compare the effect of interwall interactions on the transport characteristics with that obtained from a simple tight-binding model. The leakage current through ultrathin gate oxides is also studied for various Si/SiO2 interface models, which are manipulated by varying oxide thickness and crystal phase.",

keywords = "Matrix Green's function, Quantum transport",

author = "Kang, \{Yong Ju\} and Joongoo Kang and Kim, \{Yong Hoon\} and Chang, \{Kee Joo\}",

note = "Funding Information: This work was supported by the Korea Ministry of Commerce, Industry and Energy and by the Star-Faculty project.",

year = "2007",

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T1 - First-principles approach to the electron transport and applications for devices based on carbon nanotubes and ultrathin oxides

AU - Kang, Yong Ju

AU - Kang, Joongoo

AU - Kim, Yong Hoon

AU - Chang, Kee Joo

N1 - Funding Information: This work was supported by the Korea Ministry of Commerce, Industry and Energy and by the Star-Faculty project.

PY - 2007/7

Y1 - 2007/7

N2 - We use a first-principles computational scheme to study the transport properties of devices based on telescoping carbon nanotubes. The transmission function is calculated through the matrix Green's function method using a Gaussian basis set. Varying the overlap region of the two nanotubes, we compare the effect of interwall interactions on the transport characteristics with that obtained from a simple tight-binding model. The leakage current through ultrathin gate oxides is also studied for various Si/SiO2 interface models, which are manipulated by varying oxide thickness and crystal phase.

AB - We use a first-principles computational scheme to study the transport properties of devices based on telescoping carbon nanotubes. The transmission function is calculated through the matrix Green's function method using a Gaussian basis set. Varying the overlap region of the two nanotubes, we compare the effect of interwall interactions on the transport characteristics with that obtained from a simple tight-binding model. The leakage current through ultrathin gate oxides is also studied for various Si/SiO2 interface models, which are manipulated by varying oxide thickness and crystal phase.

KW - Matrix Green's function

KW - Quantum transport

UR - https://www.scopus.com/pages/publications/34250676133

U2 - 10.1016/j.cpc.2007.02.031

DO - 10.1016/j.cpc.2007.02.031

M3 - Article

AN - SCOPUS:34250676133

SN - 0010-4655

VL - 177

SP - 30

EP - 33

JO - Computer Physics Communications

JF - Computer Physics Communications

IS - 1-2 SPEC. ISS.

ER -

First-principles approach to the electron transport and applications for devices based on carbon nanotubes and ultrathin oxides

Abstract

Bibliographical note

Keywords

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