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We generalize the DFT/SGGA + U (density functional theory (DFT) at the spin polarized generalized gradient approximation (SGGA) and the Hubbard‐U approximation) functional with a view to bring the calculated electronic band structures in agreement with experiment in an efficient way. We show the necessity of incorporating the different components of U, namely the Us/p/d‐terms, for the s, p, and d...
Measurements on transition energies near the optical absorption band edge for lithium niobate samples doped with indium at several concentrations are presented. Indirect and direct optical absorption processes were analyzed. It was found that the energies for these transitions are larger than those corresponding to undoped lithium niobate, suggesting that the energy band structure was modified by...
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