Electric Field Gradients of Light Impurities in TiO2 Calculated by the Full Potential KKR Green's Function Method

@article{Ogura2004ElectricFG,
  title={Electric Field Gradients of Light Impurities in TiO2 Calculated by the Full Potential KKR Green's Function Method},
  author={M. Ogura and Hisazumi Akai},
  journal={Hyperfine Interactions},
  year={2004},
  volume={158},
  pages={99-103}
}
The electric field gradients (EFGs) of B, N, O and Na in TiO2 were calculated by the full potential Korringa–Kohn–Rostoker (KKR) Greens function method in the framework of the density functional theory. The agreement with the experiments was much improved from the previous calculations that were based on the muffin-tin potential model. 

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