Origin of charge transfer complex resulting in Ohmic contact at the C60/Cu interface

S. W. Cho, Y. Yi, J. H. Seo, C. Y. Kim, M. Noh, K. H. Yoo, K. Jeong, C. N. Whang

Research output: Contribution to journalArticle

10 Citations (Scopus)


The conducting charge transfer complex formed on the C60/Cu interface after heat treatment was investigated by using density functional theory. We optimized the geometries of the C60 and C60-Cu complexes. Then, a comparison of the valence band spectrum with the simulated density of states revealed detailed molecular properties. We confirm that the C60-Cu complex layer formed at the C60/Cu interface enhances charge transfer. The conducting complex creates both an occupied gap state and unoccupied states between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of C60. These states lead to the formation of Ohmic contact between the C60 layer and the Cu layer.

Original languageEnglish
Pages (from-to)160-164
Number of pages5
JournalSynthetic Metals
Issue number2-3
Publication statusPublished - 2007 Feb 15

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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