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Прояв точкових дефектiв в електроннiй структурi кристалiв Hg3Te2Cl2

Прояв точкових дефектiв в електроннiй структурi кристалiв Hg3Te2Cl2

Within the score of the density functional theory, we investigate the impact of point defects on the electronic structure of Hg3Te2Cl2 crystals, by using the supercell model [2×2×1]. The ab initio calculations for defect-free and defective Hg3Te2Cl2 crystals in the LDA approximation are performed fo...

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Bibliographic Details
Main Authors: Bokotey, O. V., Vakulchak, V. V., Bokotey, A. A., Nebola, I. I.
Format: Article
Language:English
Published: Publishing house "Academperiodika" 2019
Subjects:
band structure
point defects
gap
absorption edge
optical transitions
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Online Access:https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2019027
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https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2019027

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