论文信息 - Computer simulation of high-energy electron scattering from individual defects

Computer simulation of high-energy electron scattering from individual defects

Abstract An analysis is presented of the effects that the choice of supercell can have on the calculation of the scattering of electrons from individual defects in crystals. It is shown that, while the generation of returning defects can be avoided, the choice of supercell must be made with care to avoid obtaining physically incorrect results.

A. Wilson | A. Spargo

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