Density functional theory study of the point defect energetics in ?-LiAlO^sub 2^, Li^sub 2^ZrO^sub 3^ and Li^sub 2^TiO^sub 3^ materials

The defect energetics in γ-LiAlO2, Li2TiO3, and Li2ZrO3 materials used in tritium-producing burnable absorber rods and fusion solid breeder applications was investigated using density functional theory calculations. A comprehensive analysis of the charged defects was performed for cation and anion v...

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