Geometry dependent structural and electronic properties of CdS nanowires: An ab-inito study

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• 作者：Md Shahzad Khan ; Anurag Srivastava ; ^{profanurag@gmail.com}
• 关键词：Cadmium sulphide ; Nanowires ; Bandstructure ; Density functional theory ; Effective mass ; Interfrontier orbital
• 刊名：Superlattices and Microstructures
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：101
• 期：Complete
• 页码：306-314
• 全文大小：3421 K
• 卷排序：101

文摘

Ab-initio investigations have been performed for Hexagonal and Triangular CdS nanowires. Shape and diameter affects the electronic properties of CdS nanowires. Stability of CdS nanowires increases with enlarging diameter, evaluated in terms of formation energies. Increase in diameter reduces the bandgap of CdS nanowire and increases the electronic charge carrier mobility. Almost same effective mass of negative and positive charge carriers along the length of large diameter nanowires.