Dipole formation at metal/PTCDA interfaces: Role of the Charge Neutrality Level

H. Vázquez; R. Oszwaldowski; P. Pou; J. Ortega; R. Pérez; F. Flores; Antoine Kahn

doi:10.1209/epl/i2003-10131-2

Dipole formation at metal/PTCDA interfaces: Role of the Charge Neutrality Level

H. Vázquez, R. Oszwaldowski, P. Pou, J. Ortega, R. Pérez, F. Flores, Antoine Kahn

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212 Scopus citations

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)
Pages (from-to)	802-808
Number of pages	7
Journal	Europhysics Letters
Volume	65
Issue number	6
DOIs	https://doi.org/10.1209/epl/i2003-10131-2
State	Published - Mar 2004

All Science Journal Classification (ASJC) codes

Physics and Astronomy(all)

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title = "Dipole formation at metal/PTCDA interfaces: Role of the Charge Neutrality Level",

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.",

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volume = "65",

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TY - JOUR

T1 - Dipole formation at metal/PTCDA interfaces

T2 - Role of the Charge Neutrality Level

AU - Vázquez, H.

AU - Oszwaldowski, R.

AU - Pou, P.

AU - Ortega, J.

AU - Pérez, R.

AU - Flores, F.

AU - Kahn, Antoine

PY - 2004/3

Y1 - 2004/3

N2 - 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.

AB - 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.

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JF - Europhysics Letters

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Dipole formation at metal/PTCDA interfaces: Role of the Charge Neutrality Level

Abstract

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