Hoang Nam Nhat

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Point defects in semiconductors cause many considerable behaviours of these materials. This article introduces a procedure for modelling of point defects using a structural approach often referred to as a bond-valence method. This method minimalizes the computation cost and facilitates a contruction of complex 3D images  illustrating the point defects, including the charge distribution map at contact interfaces. This method also provides a convenient way to estimate the carrier density and defect locations, it visualizes a dynamics of valence relocation under thermal fluctuation

Keywords: Bond-valence; Defects; Modelling; Tools


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