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...
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| Format: | article |
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2015
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| Accés en línia: | http://dspace.utpl.edu.ec/handle/123456789/19005 |
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