Articles with "correction structural" as a keyword



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Effects of Hubbard term correction on the structural parameters and electronic properties of wurtzite ZnO

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Published in 2017 at "Computational Materials Science"

DOI: 10.1016/j.commatsci.2017.06.032

Abstract: Abstract The effects of including the Hubbard on-site Coulombic correction to the structural parameters and valence energy states of wurtzite ZnO were explored. Due to the changes in the structural parameters caused by correction of… read more here.

Keywords: wurtzite zno; structural parameters; correction; band ... See more keywords