Electronegativity equalization model for interface barrier formation at reactive metal/organic contacts
Appl. Phys. Lett. 95, 173303 (2009); doi:10.1063/1.3253709
Published 29 October 2009
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A general model based on electronegativity equalization method (EEM) is proposed for a quantitative formulation of barrier formation at reactive metal/organic interfaces. The present model predicts for molecular bonding formation a linear dependence of barrier heights on the degree of partial charge transfer, which is determined by the electronegativity difference between metals and molecules. Also, the calculated barrier heights show good agreement with the empirical values. It suggests that the EEM-based electronegativity model has captured the essence of barrier formation at reactive metal/organic interfaces, and that electronegativity is a fundamental factor in characterizing the chemical trend of barrier heights.
©2009 American Institute of Physics
| History: | Received 1 September 2009; accepted 25 September 2009; published 29 October 2009 |
| Permalink: |
http://link.aip.org/link/?APPLAB/95/173303/1 |
KEYWORDS and PACS
aluminium,
caesium,
calcium,
charge exchange,
electronegativity,
energy gap,
hardness,
indium,
ionisation potential,
lithium,
magnesium,
organic semiconductors,
potassium,
semiconductor-metal boundaries,
sodium,
tin
- 73.40.Ns
Electrical properties of metal-nonmetal contacts - 71.20.Rv
Electronic structure of polymers and organic compounds - 62.20.Qp
Friction, tribology and hardness - 68.35.Gy
Mechanical properties and surface strains of solid surfaces and interfaces - 81.40.Np
Fatigue, embrittlement, fracture and failure - YEAR: 2009
RELATED DATABASES
PUBLICATION DATA
0003-6951 (print)
1077-3118 (online)
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