DFT study of chromium-doped SnO2 materials

Density functional theory (DFT) and generalised gradient approximation have been employed to study effects produced by chromium dopant in the tin dioxide. Hubbard-like term (DFT+U method) has been introduced to provide better description of magnetic moments, internal degrees of freedom and electroni...

• Autor principal: Stashans, A. (author)
• Altres autors: Rivera Escobar, R. (author), Puchaicela Huaca, L. (author)
• Format: article
• Publicat: 2014
• Accés en línia: http://dspace.utpl.edu.ec/handle/123456789/19179