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...
| 发表在: | Results in Physics |
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| 主要作者: | |
| 格式: | 文件 |
| 语言: | English |
| 出版: |
Elsevier B.V.
2020
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| 在线阅读: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85075760738&doi=10.1016%2fj.rinp.2019.102829&partnerID=40&md5=59b1b23a5a05b184c5423074ef4442f0 |