Evolutionary approach for finding the atomic structure of steps on stable crystal surfaces

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Evolutionary approach for finding the atomic structure of steps on stable crystal surfaces

The problem addressed here can be concisely formulated as follows: Given a stable surface orientation with a known reconstruction and given a direction in the plane of this surface, find the atomic structure of the steps oriented along that direction. We report a robust and generally applicable variable-number genetic algorithm for determining the atomic configuration of crystallographic steps,...

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ژورنال

عنوان ژورنال: Physical Review B

سال: 2007

ISSN: 1098-0121,1550-235X

DOI: 10.1103/physrevb.75.195415