Journal
PHYSICAL REVIEW B
Volume 79, Issue 12, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.125322
Keywords
bonds (chemical); elemental semiconductors; infrared spectra; nanoparticles; quantum theory; silicon; ultraviolet spectra; visible spectra
Funding
- National Science Foundation [DMR-0513048]
- Alcoa, Inc.
- Vanderbilt University
- Division of Materials Sciences and Engineering, U. S. Department of Energy
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We use quantum-mechanical calculations and classical theories of the optical absorption of free and embedded nanoparticles to demonstrate a universality of the optical response of Si-Si bonds, independent of bonding configurations. We also demonstrate that the classical theory remains valid down to atomic-scale nanoparticles and that the evolution of the optical spectrum of a free nanoparticle would evolve to the bulk spectrum when the particle contains hundreds of thousands of Si atoms.
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