A method is presented for the ab initio calculation of transverse effective charges for crystals possessing the zinc-blende structure. The method is implemented within the framework of the empirical pseudopotential method, and theoretical results are presented for the transverse effective charges of several III-V and II-VI compounds which yield both the magnitudes and signs of these quantities. The agreement between the theoretical and experimental values for the transverse effective charges is quite good for the III-V compounds, but is poor for the II-VI compounds. Reasons for this disagreement are discussed.
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Bennett et al. (1972) studied this question.
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