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AB INITIO STUDY OF DIFFERENT PROBABLE STRUCTURES OF GROUP III ANTIMONIDES

ANOOP PANDEY

Department of Physics, University of Lucknow, Lucknow, 226007, India

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APOORVA DWIVEDI

Department of Physics, Dr. M C Saxena College of Engineering, Lucknow, India

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SAIKAT MUKHOPADHYAY

Department of Physics, Michigan Technological University, Houghton, USA

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, and

NEERAJ MISRA

Department of Physics, University of Lucknow, Lucknow, 226007, India

Corresponding author.

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https://doi.org/10.1142/S0219633613500569Cited by:1

Abstract

Ab initio studies of the small (AlSb, InSb, GaSb) clusters is performed to investigate the changes in structural, vibrational and electronic properties. The calculated results clearly demonstrate that any change in the electronic configuration of the neutral clusters gives rise to noticeable changes in the structure. The structures of the neutral, positively and negatively charged clusters are fully optimized, taking the importance of the symmetry into account in all the cases. The changes in vibrational properties are explained keeping in mind the change in the interatomic distances due to any change in the electronic configuration.

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Vol. 12, No. 06

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History

Received 17 November 2012

Accepted 21 May 2013

Published: 18 July 2013

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AB INITIO STUDY OF DIFFERENT PROBABLE STRUCTURES OF GROUP III ANTIMONIDES

Abstract

References

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