Band Structure of $Si$ and Geometric Optimization of $SiO_2$ Cluster.

Khandai, Santripti (2009) Band Structure of $Si$ and Geometric Optimization of $SiO_2$ Cluster. MSc thesis.

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Abstract

In this project we have carried out a computer simulation for the studyof electronic structure of the bulk silicon and geometric structure of $SiO_2$ cluster. We found the charge density and energy band gap for the bulk silicon. The geometric optimization of the cluster $SiO_2$ was undertaken in this project.Finally we supply our results and state the future works in this field.

Item Type:	Thesis ( MSc)
Uncontrolled Keywords:	clusters,pseudopotentials,exchange-correlation,geometric optimization
Subjects:	Physics > Molecular Physics
Divisions:	Sciences > Department of Physics
ID Code:	158
Deposited By:	Khandai Santripti
Deposited On:	08 May 2009 20:03
Last Modified:	14 Jun 2012 14:59
Supervisor(s):	Ganguli, B

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Band Structure of and Geometric Optimization of Cluster.

Abstract

Band Structure of $Si$ and Geometric Optimization of $SiO_2$ Cluster.