Electronic transport properties of Pd H junctions between two PdHx (x=0,0.25,0.5,0.75,1) electrodes: A nonequilibrium Green's function study

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 11, 2005, Pages

  Wu, Xiaojun ^a,b   Li, Qunxiang ^a   Yang, Jinlong ^a,b  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 29744461971     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.115438     Document Type: Article

References (26)

1. X. D. Cui, A. Primak, X. Zarate, J. Tomfohr, O. F. Sankey, A. L. Moore, T. A. Moore, D. Gust, G. Harris, and S. M. Lindsay, Science SCIEAS 0036-8075 10.1126/science.1064354 294, 571 (2001).
2. M. A. Reed, C. Zhou, C. J. Muller, T. P. Burgin, and J. M. Tour, Science SCIEAS 0036-8075 10.1126/science.278.5336.252 278, 252 (1997).
3. M. Di Ventra, S. T. Pantelides, and N. D. Lang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.84.979 84, 979 (2000);
4. E. G. Emberly and G. Kirczenow, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.269701 87, 269701 (2001);
5. K. Stokbro, J. Taylor, M. Brandbyge, J.-L. Mozos, and P. Ordejón, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/S0927-0256(02)00439-1 27, 151 (2003).
6. R. H. M. Smit, Y. Noat, C. Untiedt, N. D. Lang, M. C. van Hmert, and J. M. van Ruitenbeek, Nature (London) NATUAS 0028-0836 10.1038/nature01103 419, 906 (2002).
7. J. C. Cuevas, J. Heurich, F. Pauly, W. Wenzel, and G. Schön, Nanotechnology NNOTER 0957-4484 24, R29 (2003).
8. Y. García, J. J. Palacios, E. SanFabián, J. A. Vergés, A. J. Pérez-Jiménez, and E. Louis, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.041402 69, 041402 (R) (2004).
9. K. S. Thygensen and K. W. Jacobsen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.036807 94, 036807 (2005).
10. Sz. Csonka, A. Halbritter, G. Mihály, O. I. Shklyarevskii, S. Speller, and H. van Kempen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.016802 93, 016802 (2004).
11. V. M. García-Suárez, A. R. Rocha, S. W. Bailey, C. J. Lambert, S. Sanvito, and J. Ferre, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.045437 72, 045437 (2005).
12. P. Ordejón, E. Artacho, and J. M. Soler, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.53.R10441 53, R10441 (1996);
13. D. Sánchez-Portal, P. Ordejón, E. Artacho, and J. M. Soler, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/(SICI)1097-461X(1997)65: 5<453::AID-QUA9>3.0.CO;2-V 65, 453 (1997).
14. M. Brandbyge, J.-L. Mozos, P. Ordejón, J. Taylor, and K. Stokbro, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.165401 65, 165401 (2002).
15. S. K. Nielsen, M. Brandbyge, K. Hansen, K. Stokbro, J. M. van Ruitenbeek, and F. Besenbacher, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89. 066804 89, 066804 (2002);
16. J. Taylor, M. Brandbyge, and K. Stokbro, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.138301 89, 138301 (2002);
17. Y. J. Lee, M. Brandbyge, M. J. Puska, J. Taylor, K. Stokbro, and R. M. Nieminen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.125409 69, 125409 (2004).
18. N. Troullier and J. L. Martins, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.1993 43, 1993 (1991).
19. D. A. Papaconstantopoulos, Handbook of the Band Structure of Elemental Solids (Plenum, New York, London, 1986).
20. CRC Handbook of Chemistry and Physics, 73rd ed., edited by, D. R. Lide, (CRC Press LLC, Boca Raton, FL, 1992).
21. N. Agraït, A. L. Yeyati, and J. M. van Ruitenbeek, Phys. Rep. PRPLCM 0370-1573 10.1016/S0370-1573(02)00633-6 377, 81 (2003);
22. R. H. M. Smit, C. Untiedt, A. I. Yanson, and J. M. van Ruitenbeek, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.266102 87, 266102 (2001).
23. J. C. Cuevas, A. L. Yeyati, and A. Martín-Rodero, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.1066 80, 1066 (1998).
24. E. Scheer, N. Agraït, J. C. Cuevas, A. L. Yeyati, B. Ludoph, A. Martín-Rodero, G. R. Bollinger, J. M. van Ruitenbeek, and C. Urbina, Nature (London) NATUAS 0028-0836 10.1038/28112 394, 154 (1998).
25. C. T. Chan and S. G. Louie, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.27.3325 27, 3325 (1983).
26. W. Eberhardt, F. Greuter, and E. W. Plummer, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.46.1085 46, 1085 (1981).