Fe-doped SnO2: A Quantum-chemical Approach

We report first-principles results obtained on Fe impurity incorporation into the SnO2 material. Different impurity concentrations have been taken into consideration when computing structural, electronic and magnetic properties of the material. DFT + U methodology within the GGA approach applied to...

• Hlavní autor: Stashans, A. (author)
• Další autoři: Puchaicela Huaca, L. (author)
• Médium: article
• Vydáno: 2015
• Témata: DFT+U; Impurity doping; Magnetism; Microstructure; SnO2
• On-line přístup: http://dspace.utpl.edu.ec/handle/123456789/19005