摘要The geometric and electronic structures at the interface between iron phthalocyanine (FePc) and Si(110) surface are studied by ultraviolet photoelectron spectroscopy and density functional theory (DFT) calculation. After FePc is deposited on Si(110), the emission features are located at 2.56, 4.90, 7.90, 10.88 eV below the Fermi level for monolayer and 2.73, 4.90, 7.74, 10.52 eV below the Fermi level for multilayer. At the coverage of 1 ML, FePc molecules are adsorbed on the bridge site in a flat-lying geometry with a 2.17 Å separation between the molecule and the substrate. The molecular plane is bent due to the interaction between the adsorbate and the substrate.
Abstract：The geometric and electronic structures at the interface between iron phthalocyanine (FePc) and Si(110) surface are studied by ultraviolet photoelectron spectroscopy and density functional theory (DFT) calculation. After FePc is deposited on Si(110), the emission features are located at 2.56, 4.90, 7.90, 10.88 eV below the Fermi level for monolayer and 2.73, 4.90, 7.74, 10.52 eV below the Fermi level for multilayer. At the coverage of 1 ML, FePc molecules are adsorbed on the bridge site in a flat-lying geometry with a 2.17 Å separation between the molecule and the substrate. The molecular plane is bent due to the interaction between the adsorbate and the substrate.
JIN Dan;Ateeq ur Rehman;QIAN Hui-Qin;JIANG Li-Zhen;ZHANG Han-Jie;LI Hai-Yang;HE Pi-Mo;BAO Shi-Ning
. Geometric and Electronic Structures at the Interface between Iron Phthalocyanine and Si (110)[J]. 中国物理快报, 2011, 28(11): 116804-116804.
JIN Dan, Ateeq ur Rehman, QIAN Hui-Qin, JIANG Li-Zhen, ZHANG Han-Jie, LI Hai-Yang, HE Pi-Mo, BAO Shi-Ning
. Geometric and Electronic Structures at the Interface between Iron Phthalocyanine and Si (110). Chin. Phys. Lett., 2011, 28(11): 116804-116804.
[1] Collins R A and Mohammed K A 1988 J. Phys. D 21 154
[2] Hamann C et al 1991 Top. Mol. Org. Eng. 7 129
[3] Miasik J J et al 1986 J. Chem. Soc. Faraday Trans. 182 1117
[4] Joachim C et al 2000 Nature 408 541
[5] Gershenson M E et al 2006 Rev. Mod. Phys. 78 973
[6] Wenping H et al 2000 Thin Solid Films 360 256
[7] Forrest S R 1997 Chem. Rev. 97 1793
[8] Parthasarathy G et al 1998 Appl. Phys. Lett. 72 2138
[9] Blochwitz J et al 1998 Appl. Phys. Lett. 73 729
[10] Yasuhiko Sh 2000 J. Mater. Chem. 10 1
[11] Conboy J C et al 1998 J. Phys. Chem. B 102 4516
[12] Westphalena M et al 2000 Solar Energ. Mater. Solar Cells 61 97
[13] Loutfy R O and Sharp J H 1979 J. Chem. Phys. 71 1211
[14] Stenzel O et al 1995 Solar Energ. Mater. Solar Cells 37 337
[15] Cheng Z H et al 2007 J. Phys. Chem. C 111 9240
[16] Gao L et al 2007 Phys. Rev. Lett. 99 106402
[17] Hipps K W et al 1996 J. Phys. Chem. 100 11207
[18] Lu X et al 1997 J. Phys. Chem. B 101 5391
[19] Zhang H J et al 2004 Surf. Sci. 556 63
[20] Huang H et al 2006 J. Chem. Phys. 124 054716
[21] Stekolnikov A A et al 2004 Phys. Rev. L 93 136104
[22] Perdew J P et al 1996 Phys. Rev. Lett. 77 3865
[23] Perdew J P and Wang Y 1922 Phys. Rev. B 45 13244
[24] Kresse G and Furthmüller 1996 J Phys. Rev. B 54 11169
[25] Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
[26] He P et al 2001 Appl. Phys. Lett. 79 1561
[27] Ballirano P et al 1998 J. Am. Chem. Soc. 120 12798
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