Journal
PHYSICAL REVIEW B
Volume 85, Issue 4, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.85.041306
Keywords
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Funding
- Marie Curie Reintegration Grant
- BMBF (QuaHL-Rep) [01BQ1034]
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We present a first-principles study of the confinement effects on the vibrational properties of thousand atoms (radii up to 16.2 angstrom) colloidal III-V and II-VI nanoclusters. We describe how the molecular-type vibrations, such as surface-optical, surface-acoustic, and coherent acoustic modes, coexist and interact with bulk-type vibrations, such as longitudinal and transverse acoustic and optical modes. We link vibrational properties to structural changes induced by the surface and highlight the qualitative difference between III-Vs and II-VIs. We describe the size dependence of the vibrations and find good agreement for Raman shifts and for the frequency of coherent acoustic modes with experiments.
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