First-principles calculations of elastic and optical properties of Aluminum Nitride (AlN) in cubic and hexagonal phase

Investigation of elastic and optical properties of AlN in rocksalt, zincblende and wurtzite phase is done under the framework of Density Functional Theory (DFT) with modified Becke Johnson Generalised Gradient Approximation (mBJ-GGA) as exchange-correlation functional. Elastic properties conclude t...

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Bibliographic Details
Main Authors: Burhan Ahmed, B. Indrajit Sharma
Format: Article
Language:English
Published: Elsevier 2021-12-01
Series:Kuwait Journal of Science
Online Access:https://journalskuwait.org/kjs/index.php/KJS/article/view/11177
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