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2008

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Study Of Structural And Spectroscopic Properties Of Small Zns Clusters By Dft, Venkata Ramana Chaganti Jan 2008

Study Of Structural And Spectroscopic Properties Of Small Zns Clusters By Dft, Venkata Ramana Chaganti

Open Access Theses & Dissertations

ABSTRACT

The small clusters (aggregates of atoms containing a few tens of atoms) of semiconductors and metals often adopt very different shapes than the fragments of these materials in the bulk phase. Due to their large surface to volume ratio and unsaturated bonds, the small clusters often have properties that are very different from their bulk. Semiconductor clusters are extensively studied for their potential applications in a wide variety of systems from opto-electronic devices to spintronics. The present work is devoted to understanding the structural and electronic properties of small clusters of the zinc sulfide ZnnSn where n = 1 - 6 ...