First-principles theory of correlated transport through nanojunctions

Physical Review Letters

Volumn 94, Issue 11, 2005, Pages

  Ferretti, A ^a   Calzolari, A ^a   Di Felice, R ^a   Manghi, F ^a   Caldas, M J ^b   Nardelli, M Buongiorno ^c,d   Molinari, E ^a  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

^b UNIVERSITY OF SÃO PAULO   (Brazil)

^c NORTH CAROLINA STATE UNIVERSITY   (United States)

^d OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC WIRES; DENSITY FUNCTIONAL THEORY (DFT); MOLECULAR CONDUCTORS; NANOJUNCTIONS; QUANTUM TRANSPORT;

CORRELATION METHODS; ELECTRON ENERGY LEVELS; GREEN'S FUNCTION; HAMILTONIANS; INTEGRAL EQUATIONS; MATRIX ALGEBRA; NANOTECHNOLOGY; PLATINUM; QUANTUM THEORY; WIRE;

ELECTRON TRANSPORT PROPERTIES;

EID: 18044372635     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.94.116802     Document Type: Article

References (28)

1. M. Buongiorno Nardelli et al., Phys. Rev. B 64, 245423 (2001).
2. J. Taylor et al., Phys. Rev. B 63, 245407 (2001).
3. M. Brandbyge et al., Phys. Rev. B 65, 165401 (2002).
4. Y. Xue et al., Chem. Phys. 281, 151 (2002).
5. A. Calzolari et al., Phys. Rev. B 69, 035108 (2004).
6. F. Evers et al., Phys. Rev. B 69, 235411 (2004).
7. W. Liang et al., Nature (London) 417, 725 (2002).
8. J. Park et al., Nature (London) 417, 722 (2002).
9. T. W. Odom et al., Science 290, 1549 (2000).
10. P. Jarillo-Herrero et al., Nature (London) 429, 389 (2004).
11. M. Di Ventra and S. T. Pantelides, Phys. Rev. B 61, 16207 (2000).
12. D. S. Kosov, J. Chem. Phys. 119, 1 (2003).
13. N. T. Maitra et al., Phys. Rev. B 68, 045109 (2003).
14. P. Delaney and J. C. Greer, Phys. Rev. Lett. 93, 036805 (2004).
15. Y. Meir and N. S. Wingreen, Phys. Rev. Lett. 68, 2512 (1992).
16. C. Calandra and F. Manghi, Phys. Rev. B 50, 2061 (1994).
17. F. Manghi et al., Phys. Rev. B 56, 7149 (1997).
18. N. Marzari and D. Vanderbilt, Phys. Rev. B 56, 12847 (1997).
19. S. Datta, Electronic Transport in Mesoscopic Systems (Cambridge University Press, Cambridge, U.K., 1995).
20. H. Haug and A.-P. Jauho, Quantum Kinetics in Transport and Optics of Semiconductors (Springer, Berlin, 1996).
21. T.-K. Ng, Phys. Rev. Lett. 76, 487 (1996).
22. N. Sergueev et al., Phys. Rev. B 65, 165303 (2002).
23. S. Baroni, A. Dal Corso, S. de Gironcoli, and P. Giannozzi, http://www.pwscf.org, 2001.
24. A. Calzolari, C. Cavazzoni, N. Marzari, and M. Buongiorno Nardelli, WANT code, http://www.wannier-transport.org, 2004;see also Ref. [5].
25. G. D. Mahan, Many-Particle Physics (Plenum, New York, 1981).
26. M. Springer and F. Aryasetiawan, Phys. Rev. B 57, 4364 (1998).
27. N. Agraït et al., Phys. Rep. 377, 81 (2003).
28. A. Ferretti et al. (unpublished).