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Phys_org
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Researchers develop framework for databasing properties of crystal defects
Point defects (e.g. missing, extra or swapped atoms) in crystalline materials often determine the actual electronic and optical response of a given material. For example, controlled substitutions in semiconductors like silicon are the backbone of modern technology. Despite their importance, point defects are notoriously difficult to simulate and characterize, particularly across wide regions of the periodic tabl ... ⌘ Read more