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Determination of an analytical relation for binding energy dependence on small size silicon nanoclusters (nSi ≤ 10 at.)

ABDELLAZIZ DOGHMANE1, LINDA ACHOU1,* , ZAHIA HADJOUB1

Affiliation

  1. Laboratoire des Semi-conducteurs, Département de Physique, Faculté des Sciences, Université Badji-Mokhtar, Annaba, BP 12, DZ-23000, Algeria

Abstract

As there is no a universal theoretical method nor an accepted single model to predict the relation between size, nSi, and interatomic binding energy, Eb, in Si nanoclusters, we developed an original approach combining the most used computational methods to deduce a unique relation for small Si nanoclusters (nSi ≤ 10 atoms). We first determine the mean relation for each category, then for all of them. It is found that the mean analytical Eb-nSi relation takes the form, Eb= C + α exp (-nSi /β) where C, α, and β are constants deduced for each method. Then, a unique relation for all theoretical methods was found to be (Eb)Si = 3.73 - 6.29 exp (-nSi /2.03). Finally, the validity of this expression is tested. We show that this formula is applicable to all methods for any number of Si atoms. Knowing the size of the aggregates, one can deduce the binding energy and vice-versa..

Keywords

Cluster science, Nanosilicon, Binding energy, Size effects, Computational methods, Analytical relation.

Submitted at: Jan. 9, 2016
Accepted at: Aug. 3, 2016

Citation

ABDELLAZIZ DOGHMANE, LINDA ACHOU, ZAHIA HADJOUB, Determination of an analytical relation for binding energy dependence on small size silicon nanoclusters (nSi ≤ 10 at.), Journal of Optoelectronics and Advanced Materials Vol. 18, Iss. 7-8, pp. 685-690 (2016)