Metal/organic barrier formation for a C 60/Au interface: From the molecular to the monolayer limit

Physica Status Solidi (A) Applications and Materials Science

Volumn 209, Issue 4, 2012, Pages 636-646

  Abad, Enrique ^a   Ortega, José ^a   Flores, Fernando ^a  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

Author keywords

C 60; charging energy; density functional theory; metal organic interfaces

Indexed keywords

BARRIER FORMATION; C 60; CHARGE NEUTRALITY LEVEL; CHARGING ENERGIES; CHARGING ENERGY; DENSITY FUNCTIONAL THEORIES (DFT); DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY OF STATE; EFFECTIVE INTERACTIONS; ENERGY POSITION; HIGHEST OCCUPIED MOLECULAR ORBITAL; INTERFACE BARRIER; LOWEST UNOCCUPIED MOLECULAR ORBITAL; METAL-ORGANIC INTERFACE; MOLECULE SURFACE; SCREENING EFFECT; SINGLE MOLECULE; VAN DER WAALS INTERACTION;

CHARGE TRANSFER; DIAGNOSIS; ELECTRONIC STRUCTURE; MONOLAYERS; QUANTUM CHEMISTRY; VAN DER WAALS FORCES;

MOLECULES;

EID: 84859328845     PISSN: 18626300     EISSN: 18626319     Source Type: Journal    
DOI: 10.1002/pssa.201100610     Document Type: Review

References (62)

1. W. R. Salanek, S. Stafstrom, and, J. L. Bredas, Conjugated Polymer Surfaces and Interfaces: Electronic and Chemical Structure of Interfaces for Polymer Light Emitting Diodes (Cambridge University Press, Cambridge, UK, 1996).
2. N. Koch, ChemPhysChem 8 (10), 1438-1455 (2007).
3. M. Ruben, A. Landa, E. Lörtscher, H. Riel, M. Mayor, H. Görls, H. B. Weber, A. Arnold, and, F. Evers, Small 4 (12), 2229-2235 (2008).
4. A. K. Mahapatro, J. Ying, T. Ren, and, D. B. Janes, Nano Lett. 8 (8), 2131-2136 (2008).
5. M. Kiguchi, O. Tal, S. Wohlthat, F. Pauly, M. Krieger, D. Djukic, J. C. Cuevas, and, J. M. van Ruitenbeek, Phys. Rev. Lett. 101 (4), 46801 (2008).
6. X. Lu, M. Grobis, K. H. Khoo, S. G. Louie, and, M. F. Crommie, Phys. Rev. B 70 (11), 115418 (2004).
7. C. T. Tzeng, W. S. Lo, J. Y. Yuh, R. Y. Chu, and, K. D. Tsuei, Phys. Rev. B 61 (3), 2263-22272 (2000).
8. L. L. Wang, and, H. P. Cheng, Phys. Rev. B 69 (16), 165417 (2004).
9. S. K. M. Jönsson, E. Carlegrim, F. Zhang, W. R. Salaneck, and, M. Fahlman, Jpn. J. Appl. Phys. 44, 3695 (2005).
10. N. Sergueev, A. A. Demkov, and, H. Guo, Phys. Rev. B 75, 233418 (2007).
11. J. Palacios, Phys. Rev. B 72 (12), 125424 (2005).
12. E. Abad, C. González, J. Ortega, and, F. Flores, Org. Electron. 11 (2), 332-337 (2010).
13. C. Shen, and, A. Kahn, Org. Electron. 2 (2), 89-95 (2001).
14. D. Cahen, A. Kahn, and, E. Umbach, Mater. Today 8 (7), 32-41 (2005).
15. H. Ishii, K. Sugiyama, E. Ito, and, K. Seki, Adv. Mater. 11 (8), 605-625 (1999).
16. S. Narioka, H. Ishii, D. Yoshimura, M. Sei, Y. Ouchi, K. Seki, S. Hasegawa, T. Miyazaki, Y. Harima, and, K. Yamashita, Appl. Phys. Lett. 67 (13), 1899 (1995).
17. I. G. Hill, A. Rajagopal, A. Kahn, and, Y. Hu, Appl. Phys. Lett. 73 (5), 662 (1998).
18. I. G. Hill, J. Schwartz, and, A. Kahn, Org. Electron. 1 (1), 5-13 (2000).
19. W. R. Salaneck, K. Seki, A. Kahn, and, J. J. Piraeux, (eds.), Conjugated Polymer and Molecular Interfaces (Marcel Dekker, 2002), pp. 293-350, 351-400.
20. X. Crispin, V. Geskin, A. Crispin, J. Cornil, R. Lazzaroni, W. R. Salaneck, and, J. L. Brédas, J. Am. Chem. Soc. 124 (27), 8131-8141 (2002).
21. M. Knupfer, and, G. Paasch, J. Vac. Sci. Technol. A 23 (4), 1072 (2005).
22. S. Yanagisawa, and, Y. Morikawa, J. Phys.: Condens. Matter 21 (6), 64247 (2009).
23. P. S. Bagus, V. Staemmler, and, C. Wöll, Phys. Rev. Lett. 89 (9), 96104 (2002).
24. G. Witte, S. Lukas, P. S. Bagus, and, C. Wöll, Appl. Phys. Lett. 87 (26), 263502 (2005).
25. H. Vázquez, Y. J. Dappe, J. Ortega, and, F. Flores, J. Chem. Phys. 126 (14), 144703 (2007).
26. H. Vázquez, R. Oszwaldowski, P. Pou, J. Ortega, R. Pérez, F. Flores, and, A. Kahn, Europhys. Lett. 65 (6), 802-8808 (2004).
27. H. Vázquez, F. Flores, R. Oszwaldowski, J. Ortega, R. Pérez, and, A. Kahn, Appl. Surf. Sci. 234 (1-4), 107-112 (2004).
28. M. G. Betti, A. Kanjilal, C. Mariani, H. Vázquez, Y. J. Dappe, J. Ortega, and, F. Flores, Phys. Rev. Lett. 100 (2), 27601 (2008).
29. F. Flores, J. Ortega, and, H. Vázquez, Phys. Chem. Chem. Phys. 11 (39), 8658-86575 (2009).
30. J. D. Sau, J. B. Neaton, H. G. Choi, S. G. Louie, and, M. L. Cohen, Phys. Rev. Lett. 101 (2), 26804 (2008).
31. J. G. Úngyán, I. C. Gerber, A. Savin, and, J. Toulouse, Phys. Rev. A 72 (1), 12510 (2005).
32. D. C. Langreth, M. Dion, H. Rydberg, E. Schröder, P. Hyldgaard, and, B. I. Lundqvist, Int. J. Quantum Chem. 101 (5), 599-5610 (2005).
33. F. Ortmann, F. Bechstedt, and, W. G. Schmidt, Phys. Rev. B 73 (20), 205101 (2006).
34. S. Grimme, J. Comput. Chem. 27 (15), 1787-1799 (2006).
35. K. Pernal, R. Podeszwa, K. Patkowski, and, K. Szalewicz, Phys. Rev. Lett. 103 (26), 263201 (2009).
36. N. Marom, A. Tkatchenko, M. Scheffler, and, L. Kronik, J. Chem. Theory Comput. 6 (1), 81-90 (2010).
37. P. Jelínek, H. Wang, J. P. Lewis, O. F. Sankey, and, J. Ortega, Phys. Rev. B 71 (23), 235101 (2005).
38. 37b, J. P. Lewis, K. R. Glaesemann, G. A. Voth, J. Fritsch, A. A. Demkov, J. Ortega, and, O. Sankey, Phys. Rev. B 64 (19), 195103 (2001).
39. O. Sankey, and, D. Niklewski, Phys. Rev. B 40 (6), 3979-3995 (1989).
40. A. A. Demkov, J. Ortega, O. F. Sankey, and, M. P. Grumbach, Phys. Rev. B 52 (3), 1618-1630 (1995).
41. J. Harris, Phys. Rev. B 31 (4), 1770-1779 (1985).
42. W. M. Foulkes, and, R. Haydock, Phys. Rev. B 39 (17), 12520-12536 (1989).
43. J. Ortega, Comput. Mater. Sci. 12 (3), 192-209 (1998).
44. M. Basanta, Y. J. Dappe, P. Jelínek, and, J. Ortega, Comput. Mater. Sci. 39 (4), 759-766 (2007).
45. C. S. Yannoni, P. P. Bernier, D. S. Bethune, G. Meijer, and, J. R. Salem, J. Am. Chem. Soc. 113 (8), 3190-3192 (1991).
46. S. H. Yang, C. L. Pettiette, J. Conceicao, O. Cheshnovsky, and, R. E. Smalley, Chem. Phys. Lett. 139 (3-4), 233-238 (1987).
47. J. de Vries, H. Steger, B. Kamke, C. Menzel, B. Weisser, W. Kamke, and, I. V. Hertel, Chem. Phys. Lett. 188 (3-4), 159-162 (1992).
48. A. Maeland, and, T. Flanagan, Can. J. Phys. 42 (11), 2364 (1964).
49. J. M. Garcia-Lastra, C. Rostgaard, A. Rubio, and, K. S. Thygesen, Phys. Rev. B 80 (24), 245427 (2009).
50. J. B. Neaton, M. S. Hybertsen, and, S. G. Louie, Phys. Rev. Lett. 97 (21), 216405 (2006).
51. J. F. Janak, Phys. Rev. B 18 (12), 7165-7168 (1978).
52. E. Abad, Y. J. Dappe, J. I. Martínez, F. Flores, and, J. Ortega, J. Chem. Phys. 134 (4), 044701 (2011).
53. N. Lang, Phys. Rev. Lett. 46 (13), 842-845 (1981).
54. Y. J. Dappe, M. A. Basanta, F. Flores, and, J. Ortega, Phys. Rev. B 74 (20), 205434 (2006).
55. Y. J. Dappe, J. Ortega, and, F. Flores, Phys. Rev. B 79 (16), 165409 (2009).
56. D. C. Langreth, B. I. Lundqvist, S. D. Chakarova-Käck, V. R. Cooper, M. Dion, P. Hyldgaard, A. Kelkkanen, J. Kleis, L. Kong, S. Li, P. G. Moses, E. Murray, A. Puzder, H. Rydberg, T. Schröder, and, E. Thonhauser, J. Phys.: Condens. Matter 21 (8), 084203 (2009).
57. A. Marini, P. García-González, and, A. Rubio, Phys. Rev. Lett. 96 (13), 136404 (2006).
58. A. Tkatchenko, and, M. Scheffler, Phys. Rev. Lett. 102 (7), 073005 (2009).
59. C. González, J. Ortega, F. Flores, D. Martínez-Martn, and, J. Gómez-Herrero, Phys. Rev. Lett. 102 (10), 106801 (2009).
60. G. Mercurio, E. R. McNellis, I. Martin, S. Hagen, F. Leyssner, S. Soubatch, J. Meyer, M. Wolf, P. Tegeder, F. S. Tautz, and, K. Reuter, Phys. Rev. Lett. 104 (3), 036102 (2010).
61. P. Pou, R. Pérez, F. Flores, A. Levi-Yeyati, A. Martin-Rodero, J. M. Blanco, F. García-Vidal, and, J. Ortega, Phys. Rev. B 62 (7), 4309-4331 (2000).
62. H. Vázquez, Energy level alignment at organic semiconductor interfaces, PhD thesis, Universidad Autónoma de Madrid, 2006.