Електроннi та магнiтнi характеристики поверхнi шпiнелi Co3O4 (111) в наближеннi GGA+U

• Видавець: Publishing house "Academperiodika"
• Дата: 2018
• Автори: Kupchak, I., Serpak, N.
• Формат: Стаття
• Мова: English; Ukrainian
• Опубліковано: Publishing house "Academperiodika" 2018
• Теми: шпiнель; оксид кобальту; магнiтна структура поверхнi; spinel; cobalt oxide; magnetic surface structure; -
• Онлайн доступ: https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2018659

The atomic structure and electronic properties of the spinel Co3O4 (111) surface are calculated within the methods of density functional theory. Possible types of the surface are analyzed, and their formation energies are calculated. Electron states formed at the surface by broken bonds are studied...