Molecular Limits to the Quantum Confinement Model in Diamond Clusters

Willey, T M; Bostedt, C; van Buuren, T; Dahl, J E; Liu, S E; Carlson, R K; Terminello, L J; Moller, T

doi:10.1103/PhysRevLett.95.113401

Molecular Limits to the Quantum Confinement Model in Diamond Clusters

Journal Article · Thu Apr 07 00:00:00 EDT 2005 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.95.113401· OSTI ID:875931

Willey, T M; Bostedt, C; van Buuren, T; Dahl, J E; Liu, S E; Carlson, R K; Terminello, L J; Moller, T

The electronic structure of monodisperse, hydrogen-passivated diamond clusters in the gas phase has been studied with x-ray absorption spectroscopy. The data show that the bulk-related unoccupied states do not exhibit any quantum confinement. Additionally, density of states below the bulk absorption edge appears, consisting of features correlated to CH and CH{sub 2} hydrogen surface termination, resulting in an effective red shift of the lowest unoccupied states. The results contradict the commonly used and very successful quantum confinement model for semiconductors which predicts increasing band edge blue shifts with decreasing particle size. Our findings indicate that in the ultimate size limit for nanocrystals a more molecular description is necessary.

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Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA

Sponsoring Organization:: USDOE

DOE Contract Number:: W-7405-ENG-48

OSTI ID:: 875931

Report Number(s):: UCRL-JRNL-211271

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 11 Vol. 95; ISSN 0031-9007; ISSN PRLTAO

Country of Publication:: United States

Language:: English

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Molecular Limits to the Quantum Confinement Model in Diamond Clusters

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