Прояв точкових дефектiв в електроннiй структурi кристалiв Hg3Te2Cl2

• Дата: 2019
• Автори: Bokotey, O. V., Vakulchak, V. V., Bokotey, A. A., Nebola, I. I.
• Формат: Стаття
• Мова: English
• Опубліковано: Publishing house "Academperiodika" 2019
• Теми: band structure; point defects; gap; absorption edge; optical transitions; -
• Онлайн доступ: https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2019027
• Назва журналу: Ukrainian Journal of Physics

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...