The gDFTB tool for molecular electronics 231
Acknowledgments
The authors wish to acknowledge the fruitful collaboration with G. Solomon and
J. Reimers of the University of Sidney, Australia and with F. Pump and G. Cuniberti of
the University of Regensburg, Germany. A. Gagliardi acknowledges PaSCO Graduate
School for its funding.
References
[1] A. Aviram, M. A. Ratner, Chem. Phys. Lett. 29, 277 (1974).
[2] M. A. Reed, C. Zhou, C. J. Muller, T. P. Burgin, J. M. Tour, Science (Washington, D. C.)
278, 252 (1997).
[3] B. Xu, N. J. Tao, Science (Washington, D. C.) 301, 1221 (2003).
[4] W. Wang, T. Lee, I. Kretzschmar, M. A. Reed, Nano Lett. 4, 643 (2004).
[5] W. Wang, T. Lee, I. Kretzschmar, M. Reed, Nano Lett. 4, 643 (2004).
[6] J. G. Kushmerick, J. Lazorcik, C. H. Patterson, R. Shashidhar, D. S. Seferos, G. C. Bazan,
Nano Lett. 4, 639 (2004).
[7] A. Pecchia, A. Di Carlo, Rep. Prog. Phys. 67, 1497 (2004).
[8] T. Frauenheim, G. Seifert, M. Elstner, T. Niehaus, C. Kohler, M. Amkreutz, M. Sternberg,
Z. Hajnal, A. Di Carlo, S. Suhai, J. Phys.: Condensed Matter 14, 3015 (2002).
[9] A. Pecchia, A. Di Carlo, Introducing Molecular Electronics, Springer 2005, G. Cuniberti,
G. Fagas, K. Richter, eds.
[10] M. Elstner, D. Prezag, G. Jugnickel, J. Elsner, M. Haugk, T. Frauenheim, S. Suhai, G. Seifer,
Phys. Rev. B 58, 7260 (1998).
[11] P. Maragakis, R. L. Barnett, E. Kaxiras, M. Elstner, T. Frauenheim, Phys. Rev. B 66, 241
104 (2002).
[12] D. Porezag, M. R. Pederson, T. Frauenheim, T. Köhler, Phys. Rev. B 52, 14 963 (1995).
[13] C. Caroli, R.Combescot, P. Nozieres, D. Saint-James, J. Phys. C: Solid State Phys. 5,21(1972).
[14] R. Lake, S. Datta, Phys. Rev. B 45, 6670 (1992).
[15] M. Galperin, M. Ratner, A. Nitzan, Nano Lett. 4, 1605 (2004).
[16] S. V. Faleev, M. I. Stockman, Phys. Rev. B 66, 085 318 (2002).
[17] A. L. Fetter, J. D. Walecka, Quantum Theory of Many Particle Systems (Dover Publications,
1971).
[18] D. M. Mahan, Many Particle Physics (Plenum Press, 1981).
[19] H. Haung, A. P. Jauho, Quantum Kinetics in Transport and Optics of Semiconductors, Vol.
123 (Springer Series in Sol. State Sci., 1993)
[20] T. N. Todorov, J. Physics: Condens. Matter 14, 3049 (2002).
[21] S. Datta, Electronic Transport in Mesoscopic System (Cambridge University Press, 1995)
[22] T. N. Todorov, J. Hoekstra, A. P. Sutton, Phil. Mag. B 80, 421 (2000).
[23] L. V. Keldysh, Sov. Phys. JEPT 20, 1018 (1965).
[24] L. P. Kadanoff, G. Baym, Quantum Statistical Mechanics (W. A. Banjamin, 1962).
[25] S. Datta, Superlattices and Microstructures
28, 253 (2000).
[26] C. Caroli, R. Combescot, P. Nozieres, D. Saint-James, J. Phys. C: Solid State Phys. 4, 916
(1971).
[27] M. Elbing, R. Ochs, M. Köntopp, M. Fischer, C. von Hänisch, F. Weigend, F. Evers,
H. B. Weber, M. Mayor, PNAS 102, 8815 (2005).
[28] M. Galperin, M. Ratner, A. Nitzan, J. Chem. Phys. 121, 11 965 (2004).
[29] Y. C. Chen, M. Zwolak, M. Di Ventra, Nano Lett. 4, 1709 (2004).
[30] A. Pecchia, A. Gagliardi, S. Sanna, T. Frauenheim, A. Di Carlo, Nano Lett. 4, 2109 (2004).