Ab initio study of the substitutional point defect of silicon in aluminum

Abstract

【中文摘要】 Point defects are the most simple defects in a solid.Nevertheless,a great number ofphysical and mechanical properties are sensitive to their presence.Furthermore,defectssuch as line imperfections,planar imperfections and cavities which are crucial to materialbehaviour are all influenced by their interactions with point defects.Therefore detailedknowledge of point defect is of great importance for understanding the atomistic as well asthe macroscopic behaviour of a material.Because of the importance of a...supported by the National Natural Science Foundation of China

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