Density functional theory calculations and the induced density of interface states model for noble metals/ C60 interfaces

Journal of Vacuum Science and Technology B: Microelectronics and Nanometer Structures

Volumn 27, Issue 4, 2009, Pages 2008-2011

  Abad, E ^a   Ortega, J ^a   Flores, F ^a  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AU(1 1 1 ); BAND ALIGNMENTS; CHARGE NEUTRALITY LEVEL; CU(1 1 1); DENSITY FUNCTIONAL THEORY CALCULATIONS; INDUCED DENSITY OF INTERFACE STATES MODELS; INTERFACE DIPOLE; LOCAL ORBITALS; THEORETICAL CALCULATIONS;

SILVER;

DENSITY FUNCTIONAL THEORY;

EID: 68349152996     PISSN: 10711023     EISSN: None     Source Type: Journal    
DOI: 10.1116/1.3182739     Document Type: Article

References (42)

1. Conjugated Polymer and Molecular Interfaces, edited by, W. R. Salanek, K. Seki, A. Kahn, and, J. J. Piraeux, (Dekker, New York, 2001).
2. Conjugated Polymer Surfaces and Interfaces: Electronic and Chemical Structure of Interfaces for Polymer Light emitting Diodes, edited by, W. R. Salanek, S. Stafstrom, and, J. L. Bredas, (Cambridge University Press, Cambridge, 1996).
3. N. Koch, ChemPhysChem 8, 1438 (2007). 10.1002/cphc.200700177
4. C. Shen, A. Kahn, and I. G. Hill, Conjugated Polymer and Molecular Interfaces (Ref.), pp. 293-350.
5. C. Shen, A. Kahn, and I. G. Hill, Conjugated Polymer and Molecular Interfaces (Refs.), pp. 351-400.
6. D. Cahen, A. Kahn, and E. Umbach, Mater. Today 8, 32 (2005). 10.1016/S1369-7021(05)70985-8 (Pubitemid 40786005)
7. H. Ishii, K. Sugiyama, E. Ito, and K. Seku, Adv. Mater. (Weinheim, Ger.) 11, 605 (1999). 10.1002/(SICI)1521-4095(199906)11:8<605::AID-ADMA605>3.0. CO;2-Q
8. S. Narioka, Appl. Phys. Lett. 67, 1899 (1995). 10.1063/1.114370
9. I. G. Hill, A. Rajagopal, A. Kahn, and Y. Hu, Appl. Phys. Lett. 73, 662 (1998). 10.1063/1.121940 (Pubitemid 128673876)
10. I. G. Hill, J. Schwartz, and A. Kahn, Org. Electron. 1, 5 (2000). 10.1016/S1566-1199(00)00002-1 (Pubitemid 33239136)
11. C. Shen and A. Kahn, Org. Electron. 2, 89 (2001). 10.1016/S1566-1199(01) 00015-5
12. X. Crispin, V. Geskin, A. Crispin, J. Cornil, R. Lazzaroni, W. R. Salaneck, and J. L. Br̀das, J. Am. Chem. Soc. 124, 8131 (2002). 10.1021/ja025673r (Pubitemid 34755532)
13. M. Eremtchenko, D. Bauer, J. A. Shaefer, and F. S. Tautz, New J. Phys. 6, 4 (2004). 10.1088/1367-2630/6/1/004
14. S. Kera, Y. Yabuuchi, H. Yamane, H. Setoyama, K. K. Okufaira, A. Kahn, and N. Ueno, Phys. Rev. B 70, 085304 (2004). 10.1103/PhysRevB.70.085304
15. M. Knupfer and G. Paasch, J. Vac. Sci. Technol. A 23, 1072 (2005). 10.1116/1.1885021 (Pubitemid 43119250)
16. P. S. Bagus, V. Staemmler, and C. Wöll, Phys. Rev. Lett. 89, 096104 (2002). 10.1103/PhysRevLett.89.096104
17. G. Witte, S. Lukas, P. S. Bagus, and C. Wöll, Appl. Phys. Lett. 87, 263502 (2005). 10.1063/1.2151253 (Pubitemid 43032066)
18. H. Vázquez, Y. J. Dappe, J. Ortega, and F. Flores, J. Chem. Phys. 126, 144703 (2007). 10.1063/1.2717165 (Pubitemid 46613765)
19. H. Vázquez, R. Oszwaldowski, P. Pou, J. Ortega, R. Ṕrez, F. Flores, and A. Kahn, Europhys. Lett. 65, 802 (2004). 10.1209/epl/i2003-10131-2
20. H. Vázquez, F. Flores, R. Oszwaldowski, J. Ortega, R. Ṕrez, and A. Kahn, Appl. Surf. Sci. 234, 107 (2004). 10.1016/j.apsusc.2004.05.084
21. H. Vázquez, W. Gao, F. Flores, and A. Kahn, Phys. Rev. B 0163-1829 71, 041306 (R) (2005); 10.1103/PhysRevB.71.041306 H. Vázquez, F. Flores, and A. Kahn, Org. Electron. 8, 241 (2007). 10.1016/j.orgel.2006.07.006
22. M. Fahlman, A. Crispin, X. Crispin, S. K. M. Henze, M. P. de Jong, W. Osikowicz, C. Tengstedt, and W. R. Salaneck, J. Phys.: Condens. Matter 19, 183202 (2007). 10.1088/0953-8984/19/18/183202 (Pubitemid 46589321)
23. M. G. Betti, A. Kanjilal, C. Mariani, H. Vázquez, Y. J. Dappe, J. Ortega, and F. Flores, Phys. Rev. Lett. 100, 027601 (2008). 10.1103/PhysRevLett. 100.027601
24. I. G. Hill, A. Kahn, Z. G. Soos, and R. A. Pascual, Jr., Chem. Phys. Lett. 327, 181 (2000). 10.1016/S0009-2614(00)00882-4
25. T. Schwieger, H. Peisert, M. S. Golden, M. Knupfer, and J. Fink, Phys. Rev. B 66, 155207 (2002). 10.1103/PhysRevB.66.155207
26. D. R. T. Zahn, G. N. Gavilla, and M. Gorgoi, Chem. Phys. 325, 99 (2006). 10.1016/j.chemphys.2006.02.003
27. R. Oszwaldowski, H. Vázquez, P. Pou, J. Ortega, R. Perez, and F. Flores, J. Phys.: Condens. Matter 15, S2665 (2003). 10.1088/0953-8984/15/38/006
28. N. Dori, M. Menon, L. Kilian, M. Sokolowski, L. Kronik, and E. Umbach, Phys. Rev. B 73, 195208 (2006). 10.1103/PhysRevB.73.195208 (Pubitemid 43782086)
29. S. Kümmel and L. Kronik, Rev. Mod. Phys. 80, 3 (2008). 10.1103/RevModPhys.80.3
30. E. V. Tsiper, Z. G. Soos, W. Gao, and A. Kahn, Chem. Phys. Lett. 360, 47 (2002). 10.1016/S0009-2614(02)00774-1
31. J. D. Sau, J. B. Neaton, H. J. Choi, S. G. Louie, and M. L. Cohen, Phys. Rev. Lett. 101, 026804 (2008). 10.1103/PhysRevLett.101.026804
32. F. Flores, J. Ortega, and H. Vázquez, Phys. Chem. Chem. Phys. (submitted).
33. L. L. Wang and H.-P. Cheng, Phys. Rev. B 69, 165417 (2004). 10.1103/PhysRevB.69.165417
34. P. Jelinek, H. Wang, J. P. Lewis, O. F. Sankey, and J. Ortega, Phys. Rev. B 0163-1829 71, 235101 (2005); 10.1103/PhysRevB.71.235101 J. P. Lewis, K. R. Glaeseman, G. A. Voth, J. Fritsch, A. A. Demkov, J. Ortega, and O. F. Sankey, Phys. Rev. B 64, 195103 (2001). 10.1103/PhysRevB.64.195103
35. A. A. Demkov, J. Ortega, O. F. Sankey, and M. P. Grumbach, Phys. Rev. B 52, 1618 (1995). 10.1103/PhysRevB.52.1618
36. O. F. Sankey and D. J. Niklewski, Phys. Rev. B 40, 3979 (1989). 10.1103/PhysRevB.40.3979
37. M. A. Basanta, Y. J. Dappe, P. Jelínek, and J. Ortega, Comput. Mater. Sci. 39, 759 (2007). 10.1016/j.commatsci.2006.09.003 (Pubitemid 46729698)
38. H. Vázquez, " Energy level alignment at organic semiconductor interfaces. " Ph.D. thesis, Universidad Autónoma de Madrid, 2006.
39. J. Harris, Phys. Rev. B 31, 1770 (1985). 10.1103/PhysRevB.31.1770
40. C.-T. Tzeng, W.-S. Lo, and J.-Y. Yuh, R.-Y. Chu, and K.-D. Tsuei, Phys. Rev. B 61, 2263 (2000). 10.1103/PhysRevB.61.2263
41. E. Abad, Y. Dappe, J. Ortega, and F. Flores, Appl. Phys. A 95, 119 (2009). 10.1007/s00339-008-5010-4
42. K. D. Tsuei, J.-Y. Yuh, C.-T. Tzeng, R.-Y. Chu, S.-C. Chung, and K.-L. Tsung, Phys. Rev. B 56, 15412 (1997). 10.1103/PhysRevB.56.15412