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Jisoon Ihm School of Physics, Seoul National University

Electrical Switching in Carbon Nanotubes and Conformational Transformation of Chain Molecules. 2006. 8. 30. Jisoon Ihm School of Physics, Seoul National University. Collaborators. Sangbong Lee, Seungchul Kim, Byoung Wook Jeong (Seoul Nat’l Univ.)

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Jisoon Ihm School of Physics, Seoul National University

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  1. Electrical Switching in Carbon Nanotubes and Conformational Transformation of Chain Molecules 2006. 8. 30 Jisoon Ihm School of Physics, Seoul National University

  2. Collaborators • Sangbong Lee, Seungchul Kim, Byoung Wook Jeong (Seoul Nat’l Univ.) • Young-Woo Son ,Marvin Cohen, Steven Louie (Berkeley)

  3. Basics:Substitutional Impurity in Metallic Carbon Nanotubes Boron or Nitrogen Tube axis

  4. Electronic Structure of Metallic Armchair Nanotube Band structure of a (10,10) single-wall nanotube ( LDA, first-principles pseudopotential method )

  5. CBM VBM

  6. Tube axis

  7. Conductance with Boron Impurity Similarity to acceptor states in semiconductors A A H.J. Choi et al, PRL 84, 2917(2000)

  8. Conductance with Nitrogen Impurity Similarity to donor states in semiconductors D D

  9. I. Electrical switching in metallic carbon nanotubes ( Y.-W. Son, J. Ihm, etc., Phys. Rev. Lett. 95, 216602(2005) )

  10. 1. Motivation • Metallic and semiconducting carbon nanotubes are produced simultaneously. C. Dekker, A. Zettl Selection Problem! • Semiconducting nanotubes : easy to change conductance using gate • Metallic nanotubes: robust against impurities, defects, or external fffffffff fields (difficult to change conductance)

  11. 1. Motivations – cont’d Is it possible to control the conductance of metallic single-wall carbon nanotubes? S.B. Lee, A. Zettl Interplay between defects and electric fields electron flow

  12. 2. Calculational Method 2 : Landauer formalism SCattering-state appRoach for eLEctron Transport (SCARLET) H. J. Choi et al, PRB 59, 2267(1999), and in preparation

  13. Nitrogen Boron The electronic potential of N(B) is lowered. Levels of quasibound states move down. The electronic potential of N(B) is raised. Levels of quasibound states move up. 3. B(N) doped (10,10) SWNT

  14. 4. Switching in B-N codoped (10,10) SWNT B N • Switching behavior: off/on ratio=607kΩ/6.4kΩ~100 • Maximum resistance depends on the relative position between N and B. • Asymmetric resistance w.r.t. the direction of Eext

  15. 5. Scaling for larger (n,n) SWNT ∆H ∝ Eext · (diameter)2

  16. 6. Switching in (10,10) SWNT with Vacancies • Four carbon atoms are removed (Strong repulsive potential). • Doubly degenerate quasibound states at fermi level • Switching behavior: off/on ratio=1200kΩ/6.4kΩ ~200 • Symmetric resistance w.r.t. the direction of Eext

  17. 6. Switching in (10,10) with Vacancies – cont’d Quasibound states move up or down depending on the direction of Eext.

  18. Summary • Conductance of metallic CNTs with impurities and applied electric fields is studied. • With N and B impurity atoms on opposite sides, asymmetric switching is possible using external fields. • With a large vacancy complex, symmetric switching is possible using external fields.

  19. II. Conformational Transform of Azobenzene Molecules ( B.-Y. Choi et al., Phys. Rev. Lett. 96, 156106(2006) )

  20. Azobenzene (AB) : C6H5-N=N-C6H5

  21. Transformation between transAB and cisAB (Voltage bias using STM)

  22. Geometries of tAB

  23. Geometries of cAB

  24. Optimal geometry of tAB and cAB

  25. STS for tAB and cAB

  26. Disperse Orange 3 (NH2-C6H4-N=N-C6H4-NO2)

  27. Flat geometry of cAB

  28. Summary • Electrical pulse is found to induce molecular flip between trans and cis structures.

  29. Appendix Example of MATERIAL DESIGN : totalreflection by three nitrogen impurities Importance of geometric symmetry (equilateral triangle) Doubly degenerate impurity states cause perfect reflection at 0.6 eV. (Both even and odd states are fully reflected at same energy.)

  30. Difference between Eext and impurity potential U Lippman-Schwinger formalism: Eigenstate |ψ> of Htot associated with the eigenstate |> of H0 with the same energy E (with impurity potential U at site a)

  31. Projection on to the impurity |> where Reflection for the specific state |> : Total transmission : Resonance condition :

  32. Effect of Eext : Green’s function itself changes. : G0 projected at site a With applied electric fields, Suppose ∆H at site α is ∆E. In other words, is G0(α;E) shifted by ∆E.

  33. (10,10) SWNT with single attractive impurity of U=-5|t|

  34. (10,10) SWNT with NO Eext while changing the strength of the attractive potential, U. EF Changing Eext is different from changing U. (10,10) SWNT with a single attractive impurity of U=-5|t| while changing Eext

  35. SAMSUNG SDI FED – 2005 -

  36. Power consumption of SED, LCD, PDP (36in) Canon-Toshiba SED at CEATEC2004 SED LCD PDP

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