Generalized Tight-Binding Approach for Molecular Electronics Modeling

International Journal of Quantum Chemistry

Volumn 95, Issue 4-5, 2003, Pages 394-403

  Zhang, X G ^a   Krstic P S ^a   Butler, W H ^a,b  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b University of Alabama   (United States)

Author keywords

Electron transport; Electronic structure; Molecular electronics; Nanostructure; Tight binding Green's function

Indexed keywords

ELECTRODES; ELECTRON TRANSPORT PROPERTIES; ELECTRON TUNNELING; ELECTRONIC STRUCTURE; GREEN'S FUNCTION; MOLECULAR DYNAMICS;

ELECTRONICS MODELING;

QUANTUM THEORY;

EID: 0242335000     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10675     Document Type: Conference Paper

References (26)

1. Ferry, D. K.; Goodnick, S. M. Transport in Nanostructures; Cambridge University Press: Cambridge, UK, 1997.
2. Datta, S. Electronic Transport in Mesoscopic Systems; Cambridge University Press: Cambridge, UK, 1997.
3. Landauer, R. IBM J Res Dev 1957, 1, 233; Landauer, R. Philos Mag 1970, 21, 863.
4. Landauer, R. IBM J Res Dev 1957, 1, 233; Landauer, R. Philos Mag 1970, 21, 863.
5. Büttiker, M. Phys Rev Lett 1986, 57, 1761; Stone, A. D.; Szafer, A. IBM J Res Dev 1988, 32, 384.
6. Büttiker, M. Phys Rev Lett 1986, 57, 1761; Stone, A. D.; Szafer, A. IBM J Res Dev 1988, 32, 384.
7. Butler, W. H.; Zhang, X.-G.; Nicholson, D. M. C.; Schulthess, T. C.; MacLaren, J. M. Phys Rev Lett 1996, 76, 3216.
8. MacLaren, J. M.; Zhang, X.-G.; Butler, W. H. Phys Rev B 1997, 56, 11827.
9. Lang, N. D. Phys Rev B 1995, 52, 5335.
10. Di Ventra, M.; Pantelides, S. T.; Lang, N. D. Phys Rev Lett 2000, 84, 979.
11. Taylor, J.; Guo, H.; Wang, J. Phys Rev B 2001, 63, 121104(R).
12. Brandbyge, M.; Mozos, J.-L.; Ordejón, P; Taylor, J.; Stokbro, K. Phys Rev B 2002, 65, 165401.
13. Buongiorno Nardelli, M. Phys Rev B 1999, 60, 7828.
14. Emberly, E. G.; Kirczenow, G. Phys Rev B 1999, 58, 10911; Emberly, E. G. ; Kirczenow, G. Phys Rev B 2001, 64, 235412.
15. Emberly, E. G.; Kirczenow, G. Phys Rev B 1999, 58, 10911; Emberly, E. G. ; Kirczenow, G. Phys Rev B 2001, 64, 235412.
16. Demkov, A. A.; Zhang, X.; Drabold, D. A. Phys Rev B 2001, 64, 125306.
17. Haydock, R. Solid State Phys 1980, 35, 215.
18. MacKinnon, A. Z Phys B 1985, 59, 385.
19. Nikolić, K.; MacKinnon, A. Phys Rev B 1994, 50, 11008.
20. Ando, T. Phys Rev B 1991, 44, 8017.
21. Usuki, T.; Saito, M.; Takatsu, M.; Kiehl, R. A.; Yokoyam, N. Phys Rev B 1995, 52, 8017.
22. Krstić, P. S.; Zhang, X.-G.; Butler, W. H. Phys Rev B 2002, 66, 205319.
23. Bernholdt, D. E.; Apra, E.; Fruchtl, H. A.; Guest, M. F.; Harrison, R. J.; Kendall, R. A.; Kutteh, R. A.; Long, X.; Nicholas, J. B.; Nichols, J. A.; Taylor, H. L.; Wong, A. T.; Farm, G. I.; Littlefield, R. J.; Nieplocha, J. Int J Quantum Chem Symp 1995, 29, 475-483.
24. Caroli, C.; Combescot, R.; Nozieres, P.; Saint-James, D. J Phys C Solid State Phys 1971, 4, 916.
25. Zhang, X.; Fonseca, L.; Demkov, A. A. Phys Stat Sol B 2002, 233, 70.
26. Vosko, S. J.; Wilk, L.; Nusair, M. Can J Phys 1980, 58, 1200.