DFT + U calculations for electronic, structural, and optical properties of ZnO wurtzite structure: A review

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DFT + U calculations for electronic, structural, and optical properties of ZnO wurtzite structure: A review

This review aims to briefly outline the Hubbard-U scheme and to investigate the effect of its inclusion in standard Density Functional Theory on electronic, structural, and optical properties of ZnO wurtzite structure. To remedy the miscalculation of optimized lattice parameters determined by Local...

書目詳細資料
發表在:	Results in Physics
主要作者:	2-s2.0-85075760738
格式:	Article
語言:	English
出版:	Elsevier B.V. 2020
在線閱讀:	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85075760738&doi=10.1016%2fj.rinp.2019.102829&partnerID=40&md5=59b1b23a5a05b184c5423074ef4442f0

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