Presentation 2017-10-27
Ab initio calculations of field emission from carbon emitters on the basis of time-dependent density functional theory (Ⅲ)
Toshiharu Higuchi, Masahiro Sasaki, Yoichi Yamada,
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Abstract(in Japanese) (See Japanese page)
Abstract(in English) To clarify the origin of the superior field emission characteristics of carbon emitters, we have estimated the emission current by ab initio simulations. We adopted the time-dependent density functional theory (TD-DFT) method for calculating the field emission from carbon nanotubes (CNTs) and hydrogen-terminated carbon nanotubes (H-CNTs). We found that a calculated emission current was affected by the ramp-up time of the trapezoidal electric field. And this phenomenon was confirmed to be related to an electric dipole moment. This dipole moment grows larger so as to shorten the ramp-up time. It is important that the ramp-up time should be long to calculate more correct emission current.
Keyword(in Japanese) (See Japanese page)
Keyword(in English) Field Emission / Work Function / ab initio Simulation / First Principle Calculation / Time-Dependent Density Functional Theory / Carbon Emitter
Paper # ED2017-44
Date of Issue 2017-10-19 (ED)

Conference Information
Committee ED
Conference Date 2017/10/26(2days)
Place (in Japanese) (See Japanese page)
Place (in English)
Topics (in Japanese) (See Japanese page)
Topics (in English)
Chair Kunio Tsuda(Toshiba)
Vice Chair Michihiko Suhara(TMU)
Secretary Michihiko Suhara(New JRC)
Assistant Toshiyuki Oishi(Saga Univ.) / Tatsuya Iwata(TUT)

Paper Information
Registration To Technical Committee on Electron Devices
Language JPN
Title (in Japanese) (See Japanese page)
Sub Title (in Japanese) (See Japanese page)
Title (in English) Ab initio calculations of field emission from carbon emitters on the basis of time-dependent density functional theory (Ⅲ)
Sub Title (in English)
Keyword(1) Field Emission
Keyword(2) Work Function
Keyword(3) ab initio Simulation
Keyword(4) First Principle Calculation
Keyword(5) Time-Dependent Density Functional Theory
Keyword(6) Carbon Emitter
1st Author's Name Toshiharu Higuchi
1st Author's Affiliation *(*)
2nd Author's Name Masahiro Sasaki
2nd Author's Affiliation University of Tsukuba(Univ. of Tsukuba)
3rd Author's Name Yoichi Yamada
3rd Author's Affiliation University of Tsukuba(Univ. of Tsukuba)
Date 2017-10-27
Paper # ED2017-44
Volume (vol) vol.117
Number (no) ED-267
Page pp.pp.35-38(ED),
#Pages 4
Date of Issue 2017-10-19 (ED)