Pauling’s Ionicity and Phillips’ Ionicity
1978 年 44 巻 4 号 p. 1204-1207
詳細
1978 年 44 巻 4 号 p. 1204-1207
The relation between Pauling’s ionicity and Phillips’ ionicity is discussed by means of empirical LCAO band theory. Pauling’s ionicity is well correlated to the total electron localizability including deep s-like valence state. Phillips’ fi is correlated to the band-gap electron localizability. The reason why we have to use Pauling’s ionicity to the calculation of χijk(2) is also discussed.
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