2008/01/28 by Roby Cherian, Priya Mahadevan
Engineering · Materials Science · Physics and Astronomy · #Nanowire Synthesis and Applications #Quantum Dots Synthesis And Properties #Silicon Nanostructures and Photoluminescence #cond-mat.mtrl-sci
paper · pdf · doi:10.1063/1.2839372
published as Appl. Phys. Lett. 92, 043130 (2008) · Published in Applied physics letters
openalex publication_date 2008/01/28 · arxiv created 2008/02/11 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
We have theoretically examined the size dependence of the equilibrium lattice constant of nanocrystals of Si, GaAs, and CdSe. While deviations from the bulk lattice constant are as large as 1%–2% for unpassivated nanocrystals of Si, the deviations drop to ∼0.3%–0.4% once the surfaces are passivated. Inspite of the fact that the average equilibrium bond lengths are bulklike, we find that the nearest-neighbor bond length exhibits an unusual strain profile with bulklike bond lengths in the core and shorter (∼1%) bonds at the surface.