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Structure of s - p bonded metal clusters with 8, 20 and 40 valence electrons

Technical Report:

Abstract

From studies on some clusters of metals and semiconductors, there appear some similarities in the structure of clusters with a given number of atoms and having the number of valence electrons corresponding to a shell closing. Here we present results of the atomic and electronic structure of a few other clusters with 20 and 40 valence electrons, namely Sb{sub 4}, Sn{sub 5} and Sb{sub 8} using the density functional molecular dynamics method. We suggest that the similarities in the structure and deviation from them may help to understand bonding characteristics in clusters and its evolution to bulk behaviour. Our results on Sb{sub 8} cluster are preliminary but indicate that above room temperature its structure is two weakly interacting tetrahedra which is in general agreement with the observation of predominently antimony tetramers at T > 300 K. (author). 16 refs, 2 figs.
Authors:
Publication Date:
Oct 01, 1992
Product Type:
Technical Report
Report Number:
IC-92/313
Reference Number:
SCA: 664500; PA: AIX-24:009245; SN: 93000933645
Resource Relation:
Other Information: PBD: Oct 1992
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; ATOMIC CLUSTERS; ELECTRONIC STRUCTURE; ANTIMONY; TIN; 664500; SPECIAL ATOMS AND MOLECULES
OSTI ID:
10119817
Research Organizations:
International Centre for Theoretical Physics (ICTP), Trieste (Italy)
Country of Origin:
IAEA
Language:
English
Other Identifying Numbers:
Other: ON: DE93613643; TRN: XA9233098009245
Availability:
OSTI; NTIS (US Sales Only); INIS
Submitting Site:
INIS
Size:
[9] p.
Announcement Date:
Jun 30, 2005

Technical Report:

Citation Formats

Kumar, V. Structure of s - p bonded metal clusters with 8, 20 and 40 valence electrons. IAEA: N. p., 1992. Web.
Kumar, V. Structure of s - p bonded metal clusters with 8, 20 and 40 valence electrons. IAEA.
Kumar, V. 1992. "Structure of s - p bonded metal clusters with 8, 20 and 40 valence electrons." IAEA.
@misc{etde_10119817,
title = {Structure of s - p bonded metal clusters with 8, 20 and 40 valence electrons}
author = {Kumar, V}
abstractNote = {From studies on some clusters of metals and semiconductors, there appear some similarities in the structure of clusters with a given number of atoms and having the number of valence electrons corresponding to a shell closing. Here we present results of the atomic and electronic structure of a few other clusters with 20 and 40 valence electrons, namely Sb{sub 4}, Sn{sub 5} and Sb{sub 8} using the density functional molecular dynamics method. We suggest that the similarities in the structure and deviation from them may help to understand bonding characteristics in clusters and its evolution to bulk behaviour. Our results on Sb{sub 8} cluster are preliminary but indicate that above room temperature its structure is two weakly interacting tetrahedra which is in general agreement with the observation of predominently antimony tetramers at T > 300 K. (author). 16 refs, 2 figs.}
place = {IAEA}
year = {1992}
month = {Oct}
}