The Density Functional Theory Study of Structural and Electronical Properties of ZnO Clusters

Density functional theory studies of structural and electronic properties of small clusters were performed. For each cluster an optimization of structure and the basic properties of the band structure were conducted. It was determined that with increasing (n) energetically more efficient in the smal...

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Bibliographic Details
Main Authors: O.V. Bovgyra, R.V. Bovgyra, M.V. Kovalenko, D.І. Popovych, А.S. Serednytski
Format: Article
Language:English
Published: Sumy State University 2013-03-01
Series:Журнал нано- та електронної фізики
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Online Access:http://jnep.sumdu.edu.ua/download/numbers/2013/1/articles/jnep_2013_V5_01027.pdf
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