First–Principle Calculation of the Electronic and Optical Properties of Nanolayered ZnO Polymorphs by PBE and mBJ Density Functionals
First principle calculations of nanolayered ZnO polymorphs (Wurzite–, Zincblende–, Rocksalt–structures) in the scheme of density functional theory were performedwith the help of full potential linear augmented plane wave (FP-LAPW) method. Theexchange - correlation potential is described by generaliz...
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| Format: | Article |
| Language: | English |
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Islamic Azad University, Marvdasht Branch
2017-12-01
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| Series: | Journal of Optoelectronical Nanostructures |
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| Online Access: | https://jopn.marvdasht.iau.ir/article_2570_7c425182c134f609270c2e775211a917.pdf |