Szigeti Effective Charge of the Tetrahedral Crystals

概要

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A theory for Szigeti effective charge e_s^* is constructed using the concept of the second-nearest-neighbor electron interaction. The main source of e_s^* is the bond-electorn movement along the bond axis induced by the ion displacement. The theoretical expression for e_s^* is found to be Zf_ie_0×1-KQ/ZE_g^2), where Z is the valence, e_0 is the elementary charge, f_i is the electronic ionicity given by phillips, E_g is the optical effective band gap, Q is the magnitude of the bond-electron charge, and K is a constant. Agreement between experiment and theory for 17 tetrahedral crystals is given.
社団法人日本物理学会の論文
1974-03-15