Pseudopotential Calculation of Transverse Effective Charges for III-V and II-VI Compounds of the Zinc-Blende Structure
- 15 May 1972
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 5 (10) , 4146-4154
- https://doi.org/10.1103/physrevb.5.4146
Abstract
A method is presented for the 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.
Keywords
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