Confinement effects on the vibrational properties of III-V and II-VI nanoclusters

Details Confinement effects on the vibrational properties of III-V and II-VI nanoclusters Confinement effects on the vibrational properties of III-V and II-VI nanoclusters

2012-02-08

arxiv.org/abs/1202.1634v1

Phys. Rev. B 85, 041306(R) (2012)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

High Quality Figures at: http://www.fkf.mpg.de/bester/publications/publications.html

Scientific paper

We present a first-principles study of the confinement effects on the vibrational properties of thousand atoms (radii up to 16.2 {\AA}) 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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