DFT calculations of tin dioxide crystals containing heavily-doped fluorine

First-principles calculations based on the density functional theory (DFT) within the generalized gradient approximation have been used in the present research. Fluorine doping in the SnO2 crystals has been carried out considering a number of different defect concentrations. Dopant influence upon st...

• Главный автор: Stashans, A. (author)
• Другие авторы: Marcillo, F. (author)
• Формат: article
• Опубликовано: 2014
• Предметы: DFT
• Online-ссылка: http://dspace.utpl.edu.ec/handle/123456789/19013