Theory of high bias coulomb blockade in ultrashort molecules

IEEE Transactions on Nanotechnology

Volumn 6, Issue 5, 2007, Pages 536-544

  Muralidharan, Bhaskaran ^b   Ghosh, Avik W ^c   Pati, Swapan K ^d   Datta, Supriyo ^a,b  

^a IEEE

^b PURDUE UNIVERSITY   (United States)

^c UNIVERSITY OF VIRGINIA   (United States)

^d JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

Author keywords

Configuration interaction; Coulomb blockade; Molecular conduction; Nonequilibrium Green's function; Self consistent field

Indexed keywords

BENZENE; ELECTRIC CONDUCTANCE; GREEN'S FUNCTION; MOLECULES; PERTURBATION TECHNIQUES; TRANSPORT PROPERTIES;

CONFIGURATION INTERACTION (CI); MOLECULAR CONDUCTION; SELF CONSISTENT FIELDS; ULTRASHORT MOLECULES;

COULOMB BLOCKADE;

EID: 34648826050     PISSN: 1536125X     EISSN: None     Source Type: Journal    
DOI: 10.1109/TNANO.2007.898605     Document Type: Article

References (42)

1. S. Datta, Quantum Transport: Atom to Transistor. Cambridge, U.K.: Cambridge Univ. Press, 2005.
2. Y. Meir and N. S. Wingreen, "Landauer formula for the current through, an interacting electron region," Phys. Rev. Lett, vol. 68, pp. 2512-2515, 1992.
3. M. D. Ventra, S. T. Pantelides, and N. D. Lang, "First-principles calculation of transport properties of a molecular device," Phys. Rev. Lett., vol. 84, pp. 979-982, 2000.
4. P. S. Damle, A. W. Ghosh, and S. Datta, "First principles analysis of molecular conduction using quantum chemical software," Chem. Phys., vol. 281, pp. 171-188, 2002.
5. J. Taylor, H. Guo, and J. Wang, "Ab initio modeling of quantum transport properties of molecular electronic devices," Phys. Rev. B, vol. 63, pp. 245 407-1-245 407-13, 2001.
6. A. W. Ghosh, P. S. Damle, S. Datta, and A. Nitzan, "Molecular electronics: Theory and prospects," MRS Bull., vol. 29, pp. 391-395, 2004.
7. F. Zahid, A. W. Ghosh, M. Paulsson, E. Polizzi, and S. Datta, "Charging-induced asymmetry in molecular conductors," Phys. Rev. B, vol. 70, pp. 245317-1-245317-5, 2004.
8. M. A. Reed, C. Zhou, D. J. Muller, T. P. Burgin, and J. M. Tour, "Conductance of a molecular junction," Science, vol. 278, pp. 252-254, 1997.
9. B. Muralidharan, A. W. Ghosh, and S. Datta, "Robing electronic excitations in molecular conduction," Phys. Rev. B, vol. 73, pp. 155 410-1-155 410-5, 2006.
10. J. Park, A. N. Pasupathy, J. I. Goldsmith, C. Chang, Y. Yaish, J. R. Petta, M. Rinkoski, J. P. Sethna, H. D. Abruna, P. L. McEuen, and D. C. Ralph, "Coulomb blockade and the Kondo effect in single-atom, transistors," Nature, vol. 417, pp. 722-725, 2002.
11. J. Reichert, H. B. Weber, M. Mayor, and H. V. Lohneysen, "Low-temperature Conductance measurements on single molecules," Appl. Phys. Lett., vol. 82, pp. 4137-4139, 2003.
12. M. Mayor, H. B. Weber, J. Reichert, M. Elbing, C. von Hanisch, D. Beckmann, and M. Fischer, "Electric current through a molecular rod - Relevance of the position of the anchor groups," Angew. Chemie Int. Ed., vol. 42, pp. 5834-5838, 2003.
13. M. Elbing, R. Ochs, M. Koentopp, M. Fischer, C. von Hanisch, F. Evers, H. B. Weber, and M. Mayor, "A single-molecule diode," Proc. Nat. Acad. Sci., vol. 102, pp. 8815-8820, 2005.
14. G. D. Scott, K. S. Chichak, A. J. Peters, S. J. Cantrill, J. F. Stoddart, and H.-W. Jiang, "Differential conductance peak exchange in Borromean ring single molecule transistors," Condens. Matter, pp. 1-7, Apr. 2005.
15. G.-C. Liang and A. W. Ghosh, "Identifying contact effects in electronic conduction through C60 on silicon," Phys. Rev. Lett., vol. 95, pp. 076403-1-076403-4, 2005.
16. A. Szabo and N. S. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory. Mineola, NY: Dover, 1996.
17. M. H. Hettler, W. Wenzel, M. R. Wagewijs, and H. Schoeller, "Current collapse in tunneling transport through benzene," Phys. Rev. Lett., vol. 90, pp. 076 805-1-076 805-4, 2003.
18. L. A. Siddiqui, A. W. Ghosh, and S. Datta, "Phonon runaway in carbon nanotube quantum, dots," Phys. Rev. B, vol. 76, pp. 085 433-1-085 433-9, 2007.
19. E. Bonet, M. M. Deshmukh, and D. C. Ralph, "Solving rate equations for electron tunneling via discrete quantum states," Phys. Rev. B, vol. 65, pp. 045 317-1-045 317-10, 2002.
20. G.-C. Liang, A. W. Ghosh, M. Paulsson, and S Datta, "Electrostatic potential profiles of molecular conductors," Phys. Rev. B, vol. 69, pp. 115 302-1-115 302-12, 2004.
21. J. J. Palacios, "Coulomb blockade in electron transport through a C60 molecule from first principles," Phys. Rev. B, vol. 72, pp. 125 424-1-125 424-6, 2005.
22. C. Toher, A. Fillipetti, S. Sanvito, and K. Burke, "Self-interaction errors in density-functional calculations of electronic transport," Phys. Rev. Lett, vol. 95, pp. 146 402-1-146 402-4, 2005.
23. P. Pals and A. MacKinnon, "Coherent tunnelling through two quantum dots with Coulomb interaction," J. Phys., Condens. Matter., vol. 8, pp. 5401-5414, 1996.
24. K. Matveev, "Coulomb blockade at almost perfect transmission," Phys. Rev. B., vol. 5.1, pp. 1743-1751, 1995.
25. P. Fulde, Electron Correlations in Molecules and Solids, ser. Springer Series in Solid-State Sciences 100. Berlin, Germany: Springer-Verlag, 1991.
26. T. Rakshit and S. Datta, unpublished.
27. B. Muralidharan, A. W. Ghosh, and S. Datta, "Conductance in Coulomb blockaded molecules - Fingerprints of wave-particle duality?," J. Mol. Simul., pp. 751-758, 2006.
28. F. Zahid, M. Paulsson, and S. Datta, "Electrical conduction through molecules," in Advanced Semiconductors and Organic Nanotechniques, H. Morkoc, Ed. New York: Academic, 2003.
29. Single Charge Tunneling, ser. NATO ASI series 294, H. Grabert and M. H. Devoret, Eds. New York: Plenum, 1992.
30. M. M. Deshmukh, E. Bonet, A. N. Pasupathy, and D. C. Ralph, "Equilibrium and nonequilibrium. electron tunneling via discrete quantum states," Phys. Rev. B, vol. 65, pp. 073 301-1-073 301-4, 2002.
31. J.-O. Lee, G. Lientschnig, F. Wiertz, M. Struijk, R. A. J. Janssen, R. Egberink, D. N. Reinhoudt, P. Hadley, and C. Dekker, "Absence of strong gate effects in electrical measurements on phenylene-based conjugated molecules," Nano Lett., vol. 3, pp. 113-117, 2003.
32. U. Banin, Y. Cao, D. Katz, and O Millo, "Identification of atomiclike states in InAs nanocrystal quantum dots," Nature, vol. 400, pp. 542-544, 1995.
33. P. Delaney and J. C. Greer, "Correlated electron transport in molecular electronics," Phys. Rev. Lett, vol. 93, pp. 036 805-1-036 805-4, 2004.
34. H. Haug and A.-P. Jauho, Quantum kinetics in Transport and Optics of Semiconductors, ser. Springer Series in Solid-State Sciences 123. Berlin, Germany: Springer-Verlag, 1996.
35. S. Braig and P. W. Brouwer, "Rate equations for Coulomb blockade with, ferromagnetic leads," Phys. Rev. B, vol. 71, pp. 195 324-1-195 324-9, 2005.
36. Y. Meir, N. S. Wingreen, and P. A. Lee, "Transport through a strongly interacting electron system: Theory of periodic conductance oscillations," Phys. Rev. Lett., vol. 66, pp. 3048-3051, 1991.
37. S. A. Gurvitz and Y. S. Prager, "Microscopic derivation of rate equations for quantum transport," Phys. Rev. B, vol. 53, pp. 15 932-15 943, 1996.
38. J. N. Pedersen and A. Wacker, "Tunneling through nanosystems: Combining broadening with many-particle states," Phys. Rev. B, vol. 72, pp. 195 330-1-195 330-9, 2005.
39. S. Datta, "Fock Space formulation for nanoscale transport," cond-mat 0 603 034.
40. C. W. J. Beenakker, "Theory of Coulomb-blockade oscillations in the conductance of a quantum dot," Phys. Rev. B, vol. 44, pp. 1646-1656, 1991.
41. M. Paulsson and S. Stafstrom, "Self-consistent-field study of conduction through conjugated molecules," Phys. Rev. B, vol. 64, pp. 035 416-1-0354.16-10, 2001.
42. E. P. A. M. Bakkers, Z. Hens, A. Zunger, A. Franceschetti, L. P. Kouwenhoven, L. Gurevich, and D. Vanmaekelbergh, "Shell-tunneling spectroscopy of the single-particle energy levels of insulating quantum dots," Nano Lett., vol. 1, pp. 551-556, 2001.