The electronic structure and the band gap of nano-sized Si particles: competition between quantum confinement and surface reconstruction | Zendy

M. Maus | Zendy; Gerd Ganteför | Zendy; Wolfgang Eberhardt | Zendy

Open Access

The electronic structure and the band gap of nano-sized Si particles: competition between quantum confinement and surface reconstruction

Author(s) -

M. Maus,

Gerd Ganteför,

Wolfgang Eberhardt

Publication year - 2000

Publication title -

applied physics a

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.485

H-Index - 149

eISSN - 1432-0630

pISSN - 0947-8396

DOI - 10.1007/s003390051075

Subject(s) - x ray photoelectron spectroscopy , band gap , electronic structure , quantum dot , condensed matter physics , materials science , covalent bond , molecular physics , spectroscopy , electronic band structure , chemical physics , crystal (programming language) , chemistry , nanotechnology , physics , organic chemistry , nuclear magnetic resonance , quantum mechanics , computer science , programming language

. The electronic structure and especially the band gap of Sin clusters (n=3–45 atoms) is studied by photoelectron spectroscopy. Contrary to expectations of quantum confinement, almost all clusters studied here have a band gap smaller than that of crystalline Si or even display a continuous (metallic) density of states. We attribute this to covalent bond formation analogous to the reconstructions observed on single-crystal surfaces. Additionally, for Si30 and Si33 a gap size of 0.6 eV (0.4 eV) is observed, supporting the prediction of stable, spherically symmetric structures of these particular clusters.

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