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

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dc.creatorVazquez, H.
dc.creatorOszwaldowski, R.
dc.creatorPou, P.
dc.creatorOrtega, J.
dc.creatorPerez, R.
dc.creatorFlores, F.
dc.creatorKahn, A.
dc.date2004-05-21
dc.date.accessioned2026-07-25T15:35:46Z
dc.descriptionThe 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.
dc.description6 pages
dc.identifierhttps://arxiv.org/abs/cond-mat/0405527
dc.identifierhttp://arxiv.org/abs/cond-mat/0405527
dc.identifierEurophys. Lett., 65 (6), pp. 802-808 (2004), http://www.edpsciences.org/articles/epl/abs/2004/06/epl8070/epl8070.html
dc.identifierdoi:10.1209/epl/i2003-10131-2
dc.identifier.urihttps://dspace.dare.co.zw/handle/123456789/35231
dc.subjectMaterials Science
dc.titleDipole formation at metal/PTCDA interfaces: Role of the Charge Neutrality Level
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