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Energetic, electronic and optical properties of lanthanide doped TiO2: An ab initio LDA+U study

Author: Mulwa, WM ; Ouma, CNM ; Onani, MO ; Dejene, FB Date: May 2016 Substitutional energies, thermodynamic charge transition levels and optical properties of lanthanide doped anatase TiO(sub2) has been investigated using local density approximation with the Hubbard U correction (LDA+U) within the density ... Read more

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Browsing by Subject "DFT+U"

Browsing by Subject "DFT+U"

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