Barrier formation at metal-organic interfaces:: dipole formation and the charge neutrality level

被引：161
作者：
Vázquez, H
Flores, F
Oszwaldowski, R
Ortega, J
Pérez, R
Kahn, A
机构：
[1] Univ Autonoma Madrid, Dept Fis Teor Mat Condensada, E-28049 Madrid, Spain
[2] Inst Fizyki Mikolaja Kopernika, PL-87100 Torun, Poland
[3] Princeton Univ, Dept Elect Engn, Princeton, NJ 08544 USA
来源：
APPLIED SURFACE SCIENCE | 2004年 / 234卷 / 1-4期
关键词：
metal-organic interface; charge neutrality level; induced density of interface states; energy level alignment; barrier formation; fermi level pining;
D O I：
10.1016/j.apsusc.2004.05.084
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The barrier formation for metal-organic semiconductor interfaces is analyzed within the induced density of interface states (IDIS) model. Using weak chemisorption theory, we calculate the induced density of states in the organic energy gap and show that it is high enough to control the barrier formation. We calculate the charge neutrality levels of several organic molecules: 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA), 3,4,9,10-perylenetetracarboxylic bisbenzimidazole (PTCBI) and 4,4',N,N'-dicarbazolyl biphenyl (CBP) and the interface Fermi level for their contact with a An (111) surface. We find an excellent agreement with the experimental evidence and conclude that the barrier formation is due to the charge transfer between the metal and the states induced in the organic energy gap. (C) 2004 Elsevier B.V. All rights reserved.
引用
收藏
页码：107 / 112
页数：6
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