Cluster method, semiconductor defects

R. Jones and P. R. Briddon. The Ah Initio Cluster Method and the Dynamics of Defects in Semiconductors... 

Several important areas have been omitted. One area is defects in solids. Calculations in impurities, vacancies, interstitials, line defects, and plane defects have been performed using similar methods. Another area is interfaces. Applications are being made to the metal-semiconductor interfaces (Schottky barriers), semiconductor-semiconductor interfaces (heterojunctions), and superlattices. The study of molecules and clusters is a third area. Also, since the method can be used to calculate electron-phonon couplings, phenomena such as resistivity, superconductivity, ultrasonic attentuation, and so forth, can now be studied using these ab initio methods. Results from research in all these areas have been impressive and very encouraging. 

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