Abstract
The formation of a metal/PTCDA (3, 4, 9, 10-perylenetetracarboxylic dianhydride) interface barrier is analyzed using weak-chemisorption theory. The electronic structure of the uncoupled PTCDA molecule and of the metal surface is calculated. Then, the induced density of interface states is obtained as a function of these two electronic structures and the interaction between both systems. This induced density of states is found to be large enough (even if the metal/PTCDA interaction is weak) for the definition of a Charge Neutrality Level for PTCDA, located 2.45 eV above the highest occupied molecular orbital. We conclude that the metal/PTCDA interface molecular level alignment is due to the electrostatic dipole created by the charge transfer between the two solids.
Original language | English (US) |
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Pages (from-to) | 802-808 |
Number of pages | 7 |
Journal | Europhysics Letters |
Volume | 65 |
Issue number | 6 |
DOIs | |
State | Published - Mar 2004 |
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)