• 제목/요약/키워드: Brenner hydrocarbon potential

검색결과 3건 처리시간 0.023초

The Electronic Structure of Carbon Nanotubes with Finite Length : Tight Binding Theory

  • Moon, Won-Ha;Kim, Won-Woo;Hwang, Ho-Jung
    • Transactions on Electrical and Electronic Materials
    • /
    • 제3권1호
    • /
    • pp.23-29
    • /
    • 2002
  • The electronic properties of Carbon Nanotube(CNT) are currently the focus of considerable interest. In this paper, the electronic properties of finite length effect in CNT for the carbon nano-scale device is presented. To Calculate the electronic properties of CNT, Empirical potential method (the extended Brenner potential for C-Si-H) for carbon and Tight Binding molecular dynamic (TBMD) simulation are used. As a result of study, we have known that the value of the band gap decreases with increasing the length of the tube. The energy band gap of (6,6) armchair CNT have the ranges between 0.3 eV and 2.5 eV. Also, our results are in agreements with the result of the other computational techniques.

탄소나노튜브 표면의 STM 이미지를 통한 전기적 특성 연구 (A Theoretical Study on STM image of Carbon Nanotube)

  • 문원하;황호정
    • 한국전기전자재료학회:학술대회논문집
    • /
    • 한국전기전자재료학회 2002년도 하계학술대회 논문집
    • /
    • pp.314-317
    • /
    • 2002
  • Since the early work of Tersoff and Hamann on the theory of the scanning tunneling microscope (STM), many theoretical approaches have been developed in order to gain further physical insight into the real space image that this technique provides. In this Paper, the STM image of Carbon nanotubes (CNT's) was calculated through the theoretical study. The optimized structure of CNT's was simulated using Brenner's hydrocarbon potential. The structure of simulation is (5. 5) armchair CNT and (10. 0) zigzag CNT. Also we have used that the extended Huckel tight binding (EHTB) theory already provides a fairly good qualitative description of the main processes that control the final contrast in the STM image. we found that the shape of the calculated images is hardly dependent on the exact electronic charge distribution at the surface. The STM images are not too sensitive to the precise electronic structure but, rather, they reflect its qualitative features. As a result of the simulation, The STM images of CNT's and the electronic density distribution were investigated. It found that the EHTB theory is appropriate for STM image calculation and that the STM images are in agreement with the result of Experiment.

  • PDF

나노디바이스를 위한 탄소 나노튜브의 유한길이에 따른 전기적 특성 연구 : Tight binding 이론 (A study on Electronic properties of finite length effect in Carbon nanotubes for Carbon Nanoscale device : Tight binding theory)

  • 문원하;강진철;황호정
    • 대한전자공학회:학술대회논문집
    • /
    • 대한전자공학회 2000년도 하계종합학술대회 논문집(2)
    • /
    • pp.103-106
    • /
    • 2000
  • The electronic properties of carbon nanotube are currently the focus of considerable interest. In this paper, the electronic properties of finite length effect in carbon nanotube for cabon nanoscale device is presented. To calculate the electronic properties of carbon nanotube, Empirical potential method (Brenner' hydrocarbon potential) for carbon and Tight binding molecular dynamic (TBMD) simulation are used. As a result of study, we have known that the value of the band gap decreases with increasing the length of the tube. The energy band gap of (6, 6) armchair carbon nanotube have the ranges between 0.3 eV and 2.5 eV. Also, our results were compared with the results of the other computational techniques. As that result, our results are very well united.

  • PDF