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...

書誌詳細
出版年:	Results in Physics
第一著者:	2-s2.0-85075760738
フォーマット:	論文
言語:	English
出版事項:	Elsevier B.V. 2020
オンライン･アクセス:	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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