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A Density Functional Study of Au Clusters Adsorbed on Si(001): Formation of Cluster Lattice and a Transition From Non-Metallicity to Metallicity

Rudra Prasad Bose1 , Kisalaya Chakrabarti2

Section:Research Paper, Product Type: Journal Paper
Volume-4 , Issue-6 , Page no. 54-62, Jun-2016

Online published on Jul 01, 2016

Copyright © Rudra Prasad Bose, Kisalaya Chakrabarti . This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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IEEE Style Citation: Rudra Prasad Bose, Kisalaya Chakrabarti, “A Density Functional Study of Au Clusters Adsorbed on Si(001): Formation of Cluster Lattice and a Transition From Non-Metallicity to Metallicity,” International Journal of Computer Sciences and Engineering, Vol.4, Issue.6, pp.54-62, 2016.

MLA Style Citation: Rudra Prasad Bose, Kisalaya Chakrabarti "A Density Functional Study of Au Clusters Adsorbed on Si(001): Formation of Cluster Lattice and a Transition From Non-Metallicity to Metallicity." International Journal of Computer Sciences and Engineering 4.6 (2016): 54-62.

APA Style Citation: Rudra Prasad Bose, Kisalaya Chakrabarti, (2016). A Density Functional Study of Au Clusters Adsorbed on Si(001): Formation of Cluster Lattice and a Transition From Non-Metallicity to Metallicity. International Journal of Computer Sciences and Engineering, 4(6), 54-62.

BibTex Style Citation:
@article{Bose_2016,
author = {Rudra Prasad Bose, Kisalaya Chakrabarti},
title = {A Density Functional Study of Au Clusters Adsorbed on Si(001): Formation of Cluster Lattice and a Transition From Non-Metallicity to Metallicity},
journal = {International Journal of Computer Sciences and Engineering},
issue_date = {6 2016},
volume = {4},
Issue = {6},
month = {6},
year = {2016},
issn = {2347-2693},
pages = {54-62},
url = {https://www.ijcseonline.org/full_paper_view.php?paper_id=967},
publisher = {IJCSE, Indore, INDIA},
}

RIS Style Citation:
TY - JOUR
UR - https://www.ijcseonline.org/full_paper_view.php?paper_id=967
TI - A Density Functional Study of Au Clusters Adsorbed on Si(001): Formation of Cluster Lattice and a Transition From Non-Metallicity to Metallicity
T2 - International Journal of Computer Sciences and Engineering
AU - Rudra Prasad Bose, Kisalaya Chakrabarti
PY - 2016
DA - 2016/07/01
PB - IJCSE, Indore, INDIA
SP - 54-62
IS - 6
VL - 4
SN - 2347-2693
ER -

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Abstract

Electronic structure calculations are carried out under the density functional formalism for understanding the structure and energetic of gold atoms and gold clusters containing up to four atoms adsorbed on the Si(001) surface. The stable adsorption sites of gold atoms and the gold clusters on the Si(001):p(2x1) surface and the structural change of the clusters due to their interaction with the surface are presented. Also, the adsorption of Au clusters on Si((001):p(2x1) in presence of defects are studied. However, most significant finding of our calculations is that the formation of Au3 cluster lattice on the Si(001) is possible and, as a consequence, the Si(001) surface becomes metallic.

Key-Words / Index Term

DFS, Au, SET, Atom, Cluster

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