Електронна будова і стабільність фаз дигідриду магнію

• Date: 2022
• Main Authors: Uvarov, V.N., Uvarov, N.V., Melnik, M.P., Nemoshkalenko, M.V.
• Format: Article
• Language: English; Ukrainian
• Published: Publishing house "Academperiodika" 2022
• Subjects: зоннi розрахунки; дигiдрид магнiю; полiморфiзм; електронна будова; стабiльнiсть фаз
• Online Access: https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2022488
• Journal Title: Ukrainian Journal of Physics

With the help of band calculations in the framework of the full-potential linearized augmentedplane-wave model, information on the energy characteristics, the charge states of atoms, the nature of chemical bonds, the structure of valence bands, and the conductivity bands of polymorphous modification...