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

H. Vázquez; F. Flores; R. Oszwaldowski; J. Ortega; R. Pérez; A. Kahn

doi:10.1016/j.apsusc.2004.05.084

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

H. Vázquez, F. Flores, R. Oszwaldowski, J. Ortega, R. Pérez, A. Kahn

Research output: Contribution to journal › Conference article › peer-review

167 Scopus citations

Abstract

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 Au (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.

Original language	English (US)
Pages (from-to)	107-112
Number of pages	6
Journal	Applied Surface Science
Volume	234
Issue number	1-4
DOIs	https://doi.org/10.1016/j.apsusc.2004.05.084
State	Published - Jul 15 2004
Event	The Ninth International Conference on the Formation of Semicon - Madrid, Spain Duration: Sep 15 2003 → Sep 19 2003

All Science Journal Classification (ASJC) codes

Condensed Matter Physics
Surfaces, Coatings and Films
Surfaces and Interfaces

Keywords

Barrier formation
Charge neutrality level
Energy level alignment
Fermi level pining
Induced density of interface states
Metal-organic interface

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10.1016/j.apsusc.2004.05.084

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title = "Barrier formation at metal-organic interfaces: Dipole formation and the charge neutrality level",

abstract = "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 Au (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.",

keywords = "Barrier formation, Charge neutrality level, Energy level alignment, Fermi level pining, Induced density of interface states, Metal-organic interface",

author = "H. V{\'a}zquez and F. Flores and R. Oszwaldowski and J. Ortega and R. P{\'e}rez and A. Kahn",

note = "Funding Information: We gratefully acknowledge financial support by the Consejer{\'ı}a de Educacion de la Comunidad de Madrid, the Spanish CICYT under project MAT 2001-0665, and the DIODE network (HPRN-CT-1999-00164). Support of this work by the National Science Foundation (DMR-0097133) and the New Jersey Center for Organic Optoelectronics (AK) is also acknowledged.; The Ninth International Conference on the Formation of Semicon ; Conference date: 15-09-2003 Through 19-09-2003",

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language = "English (US)",

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T2 - The Ninth International Conference on the Formation of Semicon

AU - Vázquez, H.

AU - Flores, F.

AU - Oszwaldowski, R.

AU - Ortega, J.

AU - Pérez, R.

AU - Kahn, A.

N1 - Funding Information: We gratefully acknowledge financial support by the Consejerı́a de Educacion de la Comunidad de Madrid, the Spanish CICYT under project MAT 2001-0665, and the DIODE network (HPRN-CT-1999-00164). Support of this work by the National Science Foundation (DMR-0097133) and the New Jersey Center for Organic Optoelectronics (AK) is also acknowledged.

PY - 2004/7/15

Y1 - 2004/7/15

N2 - 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 Au (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.

AB - 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 Au (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.

KW - Barrier formation

KW - Charge neutrality level

KW - Energy level alignment

KW - Fermi level pining

KW - Induced density of interface states

KW - Metal-organic interface

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

Abstract

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