First-principles investigation of terephthalic acid on Cu(110)

Physical Review B - Condensed Matter and Materials Physics

Volumn 76, Issue 11, 2007, Pages

  Atodiresei, N ^a   Caciuc, V ^b   Schroeder, K ^a   Blugel S ^a  

^a FORSCHUNGSZENTRUM JÜLICH   (Germany)

^b UNIVERSITY OF MÜNSTER   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34848844360     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.76.115433     Document Type: Article

References (42)

1. C. W. Tang and S. A. VanSlyke, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.98799 51, 913 (1987).
2. J. S. (Ed.), Organic Light-Emitting Devices, edited by, J. Shinar, (Springer-Verlag, New York, 2004).
3. 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).
4. C. Joachim, J. K. Gimzewski, and A. Aviram, Nature (London) NATUAS 0028-0836 10.1038/35046000 408, 541 (2000).
5. Introducing Molecular Electronics, edited by, G. Cuniberti,,, G. Fagas,, and, K. Richter, (Springer-Verlag, Berlin, 2005).
6. M. Elbing, R. Ochs, M. Koentopp, M. Fischer, C. von Hänisch, F. Weigend, F. Evers, H. B. Weber, and M. Mayor, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 10.1073/pnas.0408888102 102, 8815 (2005).
7. M.-K. Ng, D.-C. Lee, and L. Yu, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja026808w 124, 11862 (2002).
8. I. I. Oleynik, M. A. Kozhushner, V. S. Posvyanskii, and L. Yu, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.096803 96, 096803 (2006).
9. C. D. Dimitrakopoulos and P. R. L. Malenfant, Adv. Mater. (Weinheim, Ger.) ADVMEW 0935-9648 10.1002/1521-4095(20020116)14:2<99::AID-ADMA99>3.0. CO;2-9 14, 99 (2002).
10. A. Hatzor and P. S. Weiss, Science SCIEAS 0036-8075 291, 1019 (2001).
11. S. Subramanian, G. S. McCarty, and J. M. Catchmark, J. Microlithogr., Microfabr., Microsyst. JMMMGF 1537-1646 4, 49701 (2005).
12. S. M. Barlow and R. Raval, Space Sci. Rev. SPSRA4 0038-6308 50, 201 (2003).
13. S. Yamagishi, S. J. Jenkins, and D. A. King, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1353856 114, 5765 (2001).
14. H. Öström, L. Triguero, M. Nyberg, H. Ogasawara, L. G. M. Pettersson, and A. Nilsson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.046102 91, 046102 (2003).
15. N. Lorente, M. F. G. Hedouin, R. E. Palmer, and M. Persson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.155401 68, 155401 (2003).
16. A. Hauschild, K. Karki, B. C. C. Cowie, M. Rohlfing, F. S. Tautz, and M. Sokolowski, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.036106 94, 036106 (2005).
17. M. Preuss, W. G. Schmidt, and F. Bechstedt, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.236102 94, 236102 (2005).
18. D. S. Martin, R. J. Cole, and S. Haq, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.155427 66, 155427 (2002).
19. B. Frederick, Q. Chen, S. Barlow, F. L. N. G. Condon, and N. Richardson, Surf. Sci. SUSCAS 0039-6028 352-354, 238 (1996).
20. B. G. Frederick, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.10883 58, 10883 (1998).
21. O. Karis, J. Hasselström, N. Wassdahl, M. Weinelt, A. Nilsson, M. Nyberg, L. G. M. Pettersson, J. Stöhr, and M. G. Samant, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.481415 112, 8146 (2000).
22. L. A. M. M. Barbosa and P. Sautet, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja004336k 123, 6639 (2001).
23. D. S. Martin, R. J. Cole, and S. Haq, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(03)00788-X 539, 171 (2003).
24. N. Atodiresei, K. Schroeder, and S. Blügel, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.75.115407 75, 115407 (2007).
25. P. Hohenberg and W. Kohn, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.136.B864 136, 864 (1964).
26. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
27. W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
28. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.64.1045 64, 1045 (1992).
29. W. Kromen, Ph.D. thesis, RWTH-Aachen, 2001.
30. R. Berger, S. Blügel, A. Antons, W. Kromen, and K. Schroeder, in Molecular Dynamics on Parallel Computers, Workshop am John von Neumann Institut für Computing, Jülich, 1999, edited by, R. Esser,,, P. Grassberger,,, J. Grotendorst,, and, M. Lewerenz, (World Scientific, Singapore, 2000), pp. 185-198.
31. G. B. Bachelet, D. R. Hamann, and M. Schlüter, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.26.4199 26, 4199 (1982).
32. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425 48, 1425 (1982).
33. P. E. Blöchl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
34. N. Atodiresei, Ph.D. thesis, RWTH-Aachen, 2004.
35. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
36. M. Bailey and C. J. Brown, Acta Crystallogr. ACCRA9 0365-110X 10.1107/S0365110X67000751 22, 387 (1967).
37. M. Śledź, J. Janczak, and R. Kubiak, J. Mol. Struct. JMOSB4 0022-2860 10.1016/S0022-2860(01)00493-8 595, 77 (2001).
38. J. Tersoff and D. R. Hamann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.31.805 31, 805 (1985).
39. N. E. S. K. Peter and C. Vollhardt, Organic Chemistry (Freeman, New York, 2000).
40. T. N. Sorrell, Organic Chemistry (University Science Books, Sausalito, CA, 1999).
41. I. Fleming, Frontier Orbitals and Organic Chemical Reactions (Wiley New York, 1978).
42. A. Rauk, Orbital Interaction Theory of Organic Chemistry (Wiley, New York, 2001).